(################################################################ 15N1H kNigHt SPECTROSCOPIC MODEL)

(########################################################################### COMPUTATIONAL DETAILS)

atoms N-15 H-1
molecule NH
symmetry Cs(M)

nstates 5

jrot 1 0 2 - 60

solutionmethod sinc

assign_v_by_count

grid
npoints 1361
range 0.6, 4.0
type 0
end

diagonalizer
syev
enermax 47500
end

contraction
vmax 60
end

(checkpoint)
(eigenfunc save)
(filename 15N1H_XabAc)
(end)

(###################################################################### ENERGY SPECTROSCOPIC MODEL)

(###################################### DIAGONAL ENERGY SPECTROSCOPIC MODEL FOR STATE #1: X3SIGMA-)

poten          1
name           "X3Sigma-"
symmetry       -
lambda         0
mult           3
units          angstrom cm-1
type           EMO
values
TE             0
RE             1.03741667498884E+00
AE             29030
RREF          -1
PL             4
PR             4
NL             2
NR             6
B0             2.27439351583597E+00
B1             5.19442939496398E-02 
B2             1.20968509645713E-01
B3            -1.13102885888932E-01 
B4             1.04068583772542E+00
B5            -1.86624555077733E+00
B6             1.56019662217773E+00
end

spin-spin      1 1
name           "XX"
lambda         0 0
mult           3 3
units          angstrom cm-1
type           polynom_decay_24
values
RE             1.03741667498884E+00
BETA           1
GAMMA          0
P              2 
B0             5.39938899867249E-01
B1             6.30319908441853E-01
BINF           0
end

bobrot         1 1
name           "XX"
lambda         0 0
mult           3 3
units          angstrom cm-1
type           polynom_decay_24
values
RE             1.03741667498884E+00
BETA           1
GAMMA          0
P              2
B0             2.30194064606655E-03
BINF           0
end

spin-rot       1 1 
name           "XX" 
lambda         0 0 
mult           3 3
units          angstrom cm-1
type           polynom_decay_24
values
RE             1.03741667498884E+00
BETA           1
GAMMA          0
P              2
B0             2.49464954369082E-03
B1             1.07056484780375E-02
BINF           0
end

(####################################### DIAGONAL ENERGY SPECTROSCOPIC MODEL FOR STATE #2: a1Delta)

poten          2
name           "a1Delta"
lambda         2
mult           1
type           EMO
units          angstrom cm-1
values
TE             1.26970518155471E+04
RE             1.03398602183219E+00
AE             48256
RREF          -1
PL             4
PR             4
NL             2
NR             4
B0             2.08379930551727E+00
B1            -3.74752398234172E-02 
B2             8.94291040721059E-02
B3            -1.54686351701227E-01 
B4             3.18438044881457E-01
end

bobrot         2 2
name           "aa"
lambda         2 2
mult           1 1
units          angstrom cm-1
type           polynom_decay_24
values
RE             1.03399834821474E+00
BETA           1
GAMMA          0
P              2
B0            -4.99571471598930E-04
BINF           0 
end

(########################################## DIAGONAL ENERGY SPECTROSCOPIC MODEL FOR STATE #3: A3Pi)


poten          3
name           "A3Pi"
lambda         1
mult           3
units          angstrom cm-1
type           EMO
values 
TE             2.98278686850514E+04
RE             1.03850043493839E+00
AE             48256
RREF          -1
PL             4
PR             4
NL             2
NR             4
B0             2.80585348882687E+00
B1             3.74752182321961E-01
B2             2.79663089453115E-01
B3            -4.66664513146920E-02
B4             1.38592765862695E+00
end 

spin-orbit-x   3 3
name           "AA"
lambda         1 1
spin           1 1
sigma          1 1
<x|LZ|y>      -i -i
factor         i
units          angstrom cm-1
type           grid
values
0.6	37.45399749
0.61	37.28920108
0.62	37.12853359
0.63	36.97311769
0.64	36.82388564
0.65	36.68150563
0.66	36.55049908
0.67	36.42284984
0.68	36.30252726
0.69	36.18935135
0.7	36.08304359
0.71	35.98326272
0.72	35.88963237
0.73	35.80176142
0.74	35.7192593
0.75	35.64174179
0.76	35.57010461
0.77	35.50139817
0.78	35.4366494
0.79	35.37554855
0.8	35.31784393
0.81	35.26328769
0.82	35.21166196
0.83	35.16277252
0.84	35.11644704
0.85	35.07253254
0.86	35.03089413
0.87	34.99140037
0.88	34.95397293
0.89	34.91850885
0.9	34.88492627
0.91	34.85315449
0.92	34.82313026
0.93	34.79479924
0.94	34.76811342
0.95	34.74303024
0.96	34.71951144
0.97	34.69752423
0.98	34.67704051
0.99	34.65803481
1	34.64012777
1.01	34.62400603
1.02	34.60929313
1.03	34.59561184
1.04	34.58364153
1.05	34.57301032
1.06	34.56367966
1.07	34.55561534
1.08	34.54876962
1.09	34.54308773
1.1	34.53873803
1.11	34.53525643
1.12	34.5332402
1.13	34.53197129
1.14	34.53181174
1.15	34.5327063
1.16	34.53425514
1.17	34.53705366
1.18	34.54071243
1.19	34.54517387
1.2	34.550381
1.21	34.55627609
1.22	34.5627991
1.23	34.56988654
1.24	34.57747039
1.25	34.58547607
1.26	34.5938201
1.27	34.6024103
1.28	34.61113437
1.29	34.61989381
1.3	34.62855086
1.31	34.63696099
1.32	34.64496351
1.33	34.65238102
1.34	34.6590178
1.35	34.66466099
1.36	34.66907976
1.37	34.67202556
1.38	34.67323203
1.39	34.67241491
1.4	34.66926522
1.41	34.66347182
1.42	34.65468364
1.43	34.64253043
1.44	34.62661441
1.45	34.63599511
1.46	34.61018945
1.47	34.57926807
1.48	34.54270987
1.49	34.49996298
1.5	34.45043282
1.51	34.39353657
1.52	34.32863255
1.53	34.25507047
1.54	34.17218399
1.55	34.07929548
1.56	33.97572135
1.57	33.85736776
1.58	33.72996699
1.59	33.58981075
1.6	33.43625949
1.61	33.26870633
1.62	33.0865859
1.63	32.90676394
1.64	32.69309037
1.65	32.46352571
1.66	32.21776425
1.67	31.95558734
1.68	31.67687184
1.69	31.38159511
1.7	31.06984095
1.71	30.74180298
1.72	30.3977866
1.73	30.03820888
1.74	29.66359643
1.75	29.27458189
1.76	28.87189807
1.77	28.45637055
1.78	28.02890876
1.79	27.59049507
1.8	27.14217369
1.81	26.68511957
1.82	26.22028947
1.83	25.74892932
1.84	25.27492106
1.85	24.79385535
1.86	24.30973713
1.87	23.82369112
1.88	23.33680648
1.89	22.85012978
1.9	22.36465766
1.91	21.88133088
1.92	21.40103488
1.93	20.92460931
1.94	20.45274148
1.95	19.98614955
1.96	19.52545087
1.97	19.07119708
1.98	18.62387581
1.99	18.18391252
2	17.75167394
2.01	17.32747143
2.02	16.91156329
2.03	16.50415859
2.04	16.10570887
2.05	15.71525763
2.06	15.33412836
2.07	14.96192616
2.08	14.59866721
2.09	14.24433768
2.1	13.89889668
2.11	13.56228067
2.12	13.23440631
2.13	12.91517215
2.14	12.60445635
2.15	12.30213941
2.16	12.00807669
2.17	11.72212018
2.18	11.44411488
2.19	11.17390017
2.2	10.91130983
2.21	10.65617817
2.22	10.40833379
2.23	10.16760378
2.24	9.933811113
2.25	9.706791318
2.26	9.486021431
2.27	9.272029024
2.28	9.064292408
2.29	8.862643628
2.3	8.666916762
2.31	8.476948248
2.32	8.311110719
2.33	8.132118888
2.34	7.958412465
2.35	7.789839623
2.36	7.626260496
2.37	7.46749009
2.38	7.31344366
2.39	7.163958591
2.4	7.018901044
2.41	6.878140359
2.42	6.741548831
2.43	6.609002503
2.44	6.480382046
2.45	6.355572239
2.46	6.23446016
2.47	6.11693315
2.48	6.002878989
2.49	5.892196617
2.5	5.784783251
2.51	5.680541506
2.52	5.579376395
2.53	5.481195171
2.54	5.385907471
2.55	5.293425544
2.56	5.203664386
2.57	5.116541803
2.58	5.031982923
2.59	4.949901718
2.6	4.870229067
2.61	4.792893323
2.62	4.717825005
2.63	4.644956843
2.64	4.574223563
2.65	4.505561806
2.66	4.438910032
2.67	4.374208466
2.68	4.31139902
2.69	4.250424745
2.7	4.191233883
2.71	4.133766975
2.72	4.07798059
2.73	4.023821366
2.74	3.971241268
2.75	3.920193548
2.76	3.870632967
2.77	3.822515652
2.78	3.775799137
2.79	3.730442253
2.8	3.686405113
2.81	3.643649127
2.82	3.602136759
2.83	3.561831682
2.84	3.522699077
2.85	3.484704112
2.86	3.447813855
2.87	3.411996113
2.88	3.377219294
2.89	3.343452884
2.9	3.310666973
2.91	3.278832465
2.92	3.247920973
2.93	3.217904787
2.94	3.188756715
2.95	3.160449957
2.96	3.132957803
2.97	3.106253183
2.98	3.080309425
2.99	3.055105717
3	3.030664126
3.01	3.007155278
3.02	2.984514134
3.03	2.962281625
3.04	2.940579098
3.05	2.919485252
3.06	2.899003564
3.07	2.879120089
3.08	2.859817333
3.09	2.841077529
3.1	2.822883452
3.11	2.805218335
3.12	2.788066654
3.13	2.77141283
3.14	2.755241912
3.15	2.739539596
3.16	2.724291936
3.17	2.709485422
3.18	2.695106907
3.19	2.681143762
3.2	2.667583651
3.21	2.654414575
3.22	2.64162494
3.23	2.62920349
3.24	2.617139261
3.25	2.605421643
3.26	2.594040351
3.27	2.582985408
3.28	2.57224719
3.29	2.561816386
3.3	2.551684001
3.31	2.541841452
3.32	2.532280466
3.33	2.522993189
3.34	2.513972106
3.35	2.505209912
3.36	2.496699477
3.37	2.488433728
3.38	2.48040602
3.39	2.47261023
3.4	2.465040469
3.41	2.457687291
3.42	2.450520757
3.43	2.443544119
3.44	2.436802405
3.45	2.430261917
3.46	2.423908264
3.47	2.41773553
3.48	2.41173876
3.49	2.405913129
3.5	2.400254022
3.51	2.394756881
3.52	2.389417354
3.53	2.384231936
3.54	2.379195251
3.55	2.374304009
3.56	2.36955427
3.57	2.364943322
3.58	2.360465574
3.59	2.356118327
3.6	2.351898054
3.61	2.347801299
3.62	2.343824615
3.63	2.339964682
3.64	2.336218186
3.65	2.332581904
3.66	2.329052704
3.67	2.325627457
3.68	2.32230319
3.69	2.319076897
3.7	2.315945725
3.71	2.312906886
3.72	2.309957624
3.73	2.307095291
3.74	2.304317303
3.75	2.301621119
3.76	2.299004391
3.77	2.296464708
3.78	2.293999781
3.79	2.291607383
3.8	2.289285317
3.81	2.287031562
3.82	2.28484403
3.83	2.282720792
3.84	2.280659889
3.85	2.278659501
3.86	2.276717763
3.87	2.274832979
3.88	2.273003375
3.89	2.271225739
3.9	2.269501686
3.91	2.267828103
3.92	2.266203491
3.93	2.264626474
3.94	2.263095669
3.95	2.261609901
3.96	2.260167996
3.97	2.258768875
3.98	2.25741163
3.99	2.256095481
4	2.254819787
end

spin-spin      3 3
name           "AA"
lambda         1 1
mult           3 3
units          angstrom cm-1
type           polynom_decay_24
values
RE             1.03850043493839E+00
BETA           1
GAMMA          0
P              2
B0            -1.72253810675367E-01
B1            -3.30042816408439E-01
BINF           0
end

bobrot         3 3
name           "AA"
lambda         1 1
mult           3 3
units          angstrom cm-1
type           polynom_decay_24
values
RE             1.03850043493839E+00
BETA           1
GAMMA          0
P              2
B0             2.23935815848472E-03
BINF           0
end

spin-rot       3 3
name           "AA"
lambda         1 1
mult           3 3
units          angstrom cm-1
type           polynom_decay_24
values
RE             1.03850043493839E+00
BETA           1
GAMMA          0
P              2
B0            -7.74377486776120E-04
B1             2.68696006687442E-02
BINF           0
end

lambda-opq     3 3
name           "AA"
lambda         1 1
spin           1 1
units          angstrom cm-1
type           polynom_decay_24
values
RE             1.03850043493839E+00
BETA           1
GAMMA          0
P              2
B0             1.37163322851489E+00
BINF           0
end

lambda-p2q     3 3
name           "AA"
lambda         1 1
spin           1 1
units          angstrom cm-1
type           polynom_decay_24
values
RE             1.03850043493839E+00
BETA           1
GAMMA          0
P              2
B0            -4.98027568529490E-03
BINF           0 
end

lambda-q       3 3
name           "AA"
lambda         1 1
spin           1 1
units          angstrom cm-1
type           polynom_decay_24
values
RE             1.03850043493839E+00
BETA           1
GAMMA          0
P              2
B0            -4.01089962903583E-05
BINF           0 
end

(###################################### DIAGONAL ENERGY SPECTROSCOPIC MODEL FOR STATE #4: b1Sigma+)

poten	       4
name	       "b1Sigma+"
symmetry       +
lambda	       0
mult	       1
units          angstrom cm-1
type	       grid
values
0.6	110795.3327
0.61	104104.7187
0.62	97853.09361
0.63	92012.45886
0.64	86556.76067
0.65	81461.73172
0.66	76704.75736
0.67	72264.75484
0.68	68122.04607
0.69	64258.26542
0.7	60656.25874
0.71	57299.99122
0.72	54174.47056
0.73	51265.67889
0.74	48560.48726
0.75	46046.61167
0.76	43712.54505
0.77	41547.50243
0.78	39541.3814
0.79	37684.70942
0.8	35968.60435
0.81	34384.73056
0.82	32925.26815
0.83	31582.87791
0.84	30350.66393
0.85	29222.15171
0.86	28191.23108
0.87	27252.17595
0.88	26399.58724
0.89	25628.3885
0.9	24933.78641
0.91	24311.27076
0.92	23756.58813
0.93	23265.72873
0.94	22834.911
0.95	22460.56629
0.96	22139.33005
0.97	21868.02429
0.98	21643.65318
0.99	21463.38331
1	21324.54585
1.01	21224.61466
1.02	21161.20844
1.03	21132.07318
1.04	21135.08437
1.05	21168.22724
1.06	21229.60771
1.07	21317.4239
1.08	21429.98146
1.09	21565.67604
1.1	21722.98887
1.11	21900.4824
1.12	22096.80246
1.13	22310.66293
1.14	22540.84133
1.15	22786.20739
1.16	23045.66152
1.17	23318.18097
1.18	23602.7869
1.19	23898.56408
1.2	24204.63681
1.21	24520.18427
1.22	24844.42512
1.23	25176.62192
1.24	25516.07455
1.25	25862.1224
1.26	26214.13776
1.27	26571.53245
1.28	26933.7446
1.29	27300.2409
1.3	27670.52313
1.31	28044.11285
1.32	28420.56012
1.33	28799.43918
1.34	29180.35057
1.35	29562.90802
1.36	29946.7516
1.37	30331.5433
1.38	30716.95392
1.39	31102.68278
1.4	31488.44017
1.41	31873.94955
1.42	32258.95415
1.43	32643.20814
1.44	33026.47669
1.45	33408.55349
1.46	33789.22565
1.47	34168.29785
1.48	34545.58571
1.49	34920.92025
1.5	35294.13686
1.51	35665.07972
1.52	36033.60396
1.53	36399.57791
1.54	36762.86987
1.55	37123.36135
1.56	37480.94039
1.57	37835.49946
1.58	38186.9398
1.59	38535.17361
1.6	38880.10872
1.61	39221.6727
1.62	39559.78215
1.63	39894.37123
1.64	40225.37847
1.65	40552.74245
1.66	40876.40827
1.67	41196.32766
1.68	41512.45233
1.69	41824.74279
1.7	42133.16171
1.71	42437.67179
1.72	42738.24449
1.73	43034.85567
1.74	43327.47681
1.75	43616.08814
1.76	43900.67651
1.77	44181.22215
1.78	44457.71629
1.79	44730.15235
1.8	44998.51934
1.81	45262.81728
1.82	45523.04615
1.83	45779.20377
1.84	46031.29673
1.85	46279.33159
1.86	46523.31715
1.87	46763.26218
1.88	46999.18424
1.89	47231.0943
1.9	47459.00993
1.91	47682.95306
1.92	47902.94127
1.93	48119.00087
1.94	48331.15383
1.95	48539.42648
1.96	48743.84954
1.97	48944.44716
1.98	49141.25664
1.99	49334.30433
2	49523.62754
2.01	49709.25699
2.02	49891.23218
2.03	50069.58824
2.04	50244.36687
2.05	50415.60317
2.06	50583.33665
2.07	50747.61122
2.08	50908.46637
2.09	51065.94381
2.1	51220.08743
2.11	51370.94112
2.12	51518.54879
2.13	51662.95212
2.14	51804.2016
2.15	51942.33893
2.16	52077.41021
2.17	52209.4637
2.18	52338.54332
2.19	52464.69514
2.2	52587.96746
2.21	52708.40855
2.22	52826.06232
2.23	52940.97484
2.24	53053.19661
2.25	53162.77371
2.26	53269.75223
2.27	53374.17607
2.28	53476.09789
2.29	53575.55721
2.3	53672.6045
2.31	53767.28586
2.32	53859.64298
2.33	53949.72634
2.34	54037.57545
2.35	54123.24079
2.36	54206.76186
2.37	54288.18256
2.38	54367.55117
2.39	54444.905
2.4	54520.29015
2.41	54593.74611
2.42	54665.31679
2.43	54735.04169
2.44	54802.9625
2.45	54869.11874
2.46	54933.54991
2.47	54996.29331
2.48	55057.39066
2.49	55116.87487
2.5	55174.78984
2.51	55231.16629
2.52	55286.04811
2.53	55339.45946
2.54	55391.43983
2.55	55442.02434
2.56	55491.24811
2.57	55539.14187
2.58	55585.73853
2.59	55631.07101
2.6	55675.17005
2.61	55718.06637
2.62	55759.78849
2.63	55800.36935
2.64	55839.83309
2.65	55878.21262
2.66	55915.53208
2.67	55951.82002
2.68	55987.10276
2.69	56021.40664
2.7	56054.75801
2.71	56087.1788
2.72	56118.69755
2.73	56149.33402
2.74	56179.11233
2.75	56208.05665
2.76	56236.18891
2.77	56263.52886
2.78	56290.10066
2.79	56315.92404
2.8	56341.01658
2.81	56365.40021
2.82	56389.09469
2.83	56412.11758
2.84	56434.48643
2.85	56456.221
2.86	56477.33885
2.87	56497.85315
2.88	56517.78583
2.89	56537.15008
2.9	56555.96125
2.91	56574.23471
2.92	56591.98801
2.93	56609.23213
2.94	56625.98244
2.95	56642.25429
2.96	56658.05865
2.97	56673.4109
2.98	56688.32421
2.99	56702.80734
3	56716.87347
3.01	56730.53796
3.02	56743.80739
3.03	56756.69714
3.04	56769.21597
3.05	56781.37267
3.06	56793.1826
3.07	56804.65015
3.08	56815.78629
3.09	56826.6042
3.1	56837.10825
3.11	56847.31163
3.12	56857.21871
3.13	56866.84048
3.14	56876.18571
3.15	56885.26099
3.16	56894.07509
3.17	56902.6346
3.18	56910.9483
3.19	56919.02058
3.2	56926.86021
3.21	56934.47378
3.22	56941.86788
3.23	56949.04909
3.24	56956.024
3.25	56962.79699
3.26	56969.37464
3.27	56975.76135
3.28	56981.9659
3.29	56987.99267
3.3	56993.84387
3.31	56999.52826
3.32	57005.04805
3.33	57010.40981
3.34	57015.61794
3.35	57020.67464
3.36	57025.58868
3.37	57030.36006
3.38	57034.99536
3.39	57039.49678
3.4	57043.86872
3.41	57048.11555
3.42	57052.24168
3.43	57056.24928
3.44	57060.14276
3.45	57063.92431
3.46	57067.59832
3.47	57071.16697
3.48	57074.63248
3.49	57078.00141
3.5	57081.27378
3.51	57084.45397
3.52	57087.54198
3.53	57090.54219
3.54	57093.45901
3.55	57096.39778
3.56	57099.1456
3.57	57101.8188
3.58	57104.41519
3.59	57106.93695
3.6	57109.38848
3.61	57111.76978
3.62	57114.08524
3.63	57116.33485
3.64	57118.52302
3.65	57120.64753
3.66	57122.71279
3.67	57124.72098
3.68	57126.67211
3.69	57128.57056
3.7	57130.41415
3.71	57132.20726
3.72	57133.94989
3.73	57135.64204
3.74	57137.29029
3.75	57138.89026
3.76	57140.44853
3.77	57141.96071
3.78	57143.43339
3.79	57144.86436
3.8	57146.25583
3.81	57147.60999
3.82	57148.92684
3.83	57150.20637
3.84	57151.45079
3.85	57152.66229
3.86	57153.84087
3.87	57154.98653
3.88	57156.10146
3.89	57157.18567
3.9	57158.23914
3.91	57159.26629
3.92	57160.2649
3.93	57161.23497
3.94	57162.18091
3.95	57163.10051
3.96	57163.99596
3.97	57164.86728
3.98	57165.71445
3.99	57166.53968
4	57167.34295
end

(########################################## DIAGONAL ENERGY SPECTROSCOPIC MODEL FOR STATE #5: c1Pi)

poten	       5
name	       "c1Pi"
lambda	       1
mult	       1
units          angstrom cm-1
type	       grid
values
0.6	139607.8306
0.61	132806.6278
0.62	126445.5463
0.63	120496.4384
0.64	114933.0989
0.65	109731.1287
0.66	104867.7816
0.67	100321.854
0.68	96073.55599
0.69	92104.41873
0.7	88397.18055
0.71	84935.71007
0.72	81704.92278
0.73	78690.6999
0.74	75879.82025
0.75	73259.9033
0.76	70819.34101
0.77	68547.25403
0.78	66433.42801
0.79	64468.2763
0.8	62642.79606
0.81	60948.52433
0.82	59377.51394
0.83	57922.28301
0.84	56575.80834
0.85	55331.47278
0.86	54183.06518
0.87	53124.73437
0.88	52150.98249
0.89	51256.62995
0.9	50436.80881
0.91	49686.92983
0.92	49002.67597
0.93	48379.97377
0.94	47814.989
0.95	47304.10693
0.96	46843.91691
0.97	46431.20365
0.98	46062.93399
0.99	45736.24381
1	45448.43356
1.01	45196.95294
1.02	44979.39432
1.03	44793.48395
1.04	44637.07974
1.05	44508.15156
1.06	44404.7856
1.07	44325.17556
1.08	44267.60737
1.09	44230.46787
1.1	44212.22514
1.11	44211.42845
1.12	44226.72363
1.13	44256.80702
1.14	44300.45613
1.15	44356.50557
1.16	44423.86014
1.17	44501.47734
1.18	44588.37612
1.19	44683.62153
1.2	44786.33346
1.21	44895.68231
1.22	45010.87796
1.23	45131.18078
1.24	45255.89724
1.25	45384.36891
1.26	45515.99004
1.27	45650.19439
1.28	45786.464
1.29	45924.33137
1.3	46063.37733
1.31	46203.21779
1.32	46343.44013
1.33	46483.47372
1.34	46622.41653
1.35	46759.14483
1.36	46892.95193
1.37	47023.90806
1.38	47152.41045
1.39	47278.65446
1.4	47402.55227
1.41	47523.88224
1.42	47642.38098
1.43	47757.80928
1.44	47869.94764
1.45	47978.61173
1.46	48083.64351
1.47	48184.90252
1.48	48282.28122
1.49	48375.68304
1.5	48465.03116
1.51	48550.27072
1.52	48631.35781
1.53	48708.26392
1.54	48780.97806
1.55	48849.50023
1.56	48913.84361
1.57	48974.03234
1.58	49030.10371
1.59	49082.10603
1.6	49130.09855
1.61	49174.14711
1.62	49214.32853
1.63	49250.72839
1.64	49283.43889
1.65	49312.55879
1.66	49338.19562
1.67	49360.45912
1.68	49379.46782
1.69	49395.34023
1.7	49408.19925
1.71	49418.17437
1.72	49425.39289
1.73	49429.9843
1.74	49432.08028
1.75	49431.81252
1.76	49429.31271
1.77	49424.70813
1.78	49418.12828
1.79	49409.69826
1.8	49399.54317
1.81	49387.78152
1.82	49374.53403
1.83	49359.90824
1.84	49344.02047
1.85	49326.97388
1.86	49308.86722
1.87	49289.80146
1.88	49269.86878
1.89	49249.15476
1.9	49227.7472
1.91	49205.72073
1.92	49183.15654
1.93	49160.12049
1.94	49136.6806
1.95	49112.89832
1.96	49088.83732
1.97	49064.54587
1.98	49040.08103
1.99	49015.4889
2	48990.81337
2.01	48966.09613
2.02	48941.37671
2.03	48916.6902
2.04	48892.06953
2.05	48867.54544
2.06	48843.14644
2.07	48818.89669
2.08	48794.82033
2.09	48770.94149
2.1	48747.27554
2.11	48723.84442
2.12	48700.66351
2.13	48677.74378
2.14	48655.10497
2.15	48632.75367
2.16	48610.70086
2.17	48588.95751
2.18	48567.5324
2.19	48546.43211
2.2	48525.66103
2.21	48505.22574
2.22	48485.13065
2.23	48465.38012
2.24	48445.97418
2.25	48426.9172
2.26	48408.21137
2.27	48389.85671
2.28	48371.85101
2.29	48354.19867
2.3	48336.89529
2.31	48319.94087
2.32	48303.33542
2.33	48287.07674
2.34	48271.16044
2.35	48255.58652
2.36	48240.35059
2.37	48225.45046
2.38	48210.88393
2.39	48196.64441
2.4	48182.73192
2.41	48169.13985
2.42	48155.86603
2.43	48142.90385
2.44	48130.25114
2.45	48117.9035
2.46	48105.85654
2.47	48094.10367
2.48	48082.6427
2.49	48071.46925
2.5	48060.57453
2.51	48049.95854
2.52	48039.6147
2.53	48029.53643
2.54	48019.72152
2.55	48010.1656
2.56	48000.86865
2.57	47991.81093
2.58	47982.99683
2.59	47974.41976
2.6	47966.07753
2.61	47957.96356
2.62	47950.07344
2.63	47942.40061
2.64	47934.94506
2.65	47927.698
2.66	47920.65506
2.67	47913.81404
2.68	47907.16835
2.69	47900.7136
2.7	47894.4476
2.71	47888.36376
2.72	47882.45989
2.73	47876.72941
2.74	47871.16792
2.75	47865.77324
2.76	47860.54096
2.77	47855.46671
2.78	47850.54609
2.79	47845.7769
2.8	47841.15257
2.81	47836.6731
2.82	47832.32969
2.83	47828.12456
2.84	47824.04891
2.85	47820.10276
2.86	47816.28171
2.87	47812.58137
2.88	47808.99954
2.89	47805.53403
2.9	47802.18046
2.91	47798.93443
2.92	47795.79375
2.93	47792.75622
2.94	47789.81965
2.95	47786.97965
2.96	47784.23402
2.97	47781.58057
2.98	47779.01492
2.99	47776.53485
3	47774.14038
3.01	47771.82493
3.02	47769.59067
3.03	47767.43104
3.04	47765.34604
3.05	47763.33345
3.06	47761.3911
3.07	47759.51459
3.08	47757.70612
3.09	47755.95911
3.1	47754.27354
3.11	47752.64723
3.12	47751.08018
3.13	47749.568
3.14	47748.1085
3.15	47746.70386
3.16	47745.34751
3.17	47744.04163
3.18	47742.78185
3.19	47741.57035
3.2	47740.40055
3.21	47739.27464
3.22	47738.19044
3.23	47737.14574
3.24	47736.14055
3.25	47735.17266
3.26	47734.2399
3.27	47733.34224
3.28	47732.47971
3.29	47731.6479
3.3	47730.84901
3.31	47730.08085
3.32	47729.34122
3.33	47728.63232
3.34	47727.94756
3.35	47727.29133
3.36	47726.66144
3.37	47726.05569
3.38	47725.47188
3.39	47724.91222
3.4	47724.37671
3.41	47723.86094
3.42	47723.36712
3.43	47722.89086
3.44	47722.43655
3.45	47721.9998
3.46	47721.5806
3.47	47721.18116
3.48	47720.79707
3.49	47720.42836
3.5	47720.0772
3.51	47719.73921
3.52	47719.41658
3.53	47719.10931
3.54	47718.81522
3.55	47718.53429
3.56	47718.26434
3.57	47718.00975
3.58	47717.76394
3.59	47717.53129
3.6	47717.30962
3.61	47717.09893
3.62	47716.89921
3.63	47716.70826
3.64	47716.52829
3.65	47716.35491
3.66	47716.1925
3.67	47716.03886
3.68	47715.89401
3.69	47715.75794
3.7	47715.62845
3.71	47715.50554
3.72	47715.39141
3.73	47715.28387
3.74	47715.18511
3.75	47715.09073
3.76	47715.00294
3.77	47714.92174
3.78	47714.84712
3.79	47714.77908
3.8	47714.71543
3.81	47714.65617
3.82	47714.6035
3.83	47714.55522
3.84	47714.51132
3.85	47714.47401
3.86	47714.43889
3.87	47714.41036
3.88	47714.38622
3.89	47714.36427
3.9	47714.34672
3.91	47714.33355
3.92	47714.32477
3.93	47714.31818
3.94	47714.31379
3.95	47714.31599
3.96	47714.31818
3.97	47714.32477
3.98	47714.33574
3.99	47714.34891
4	47714.36208
end

(######################################################### OFF-DIAGONAL ENERGY SPECTROSCOPIC MODEL)

spin-orbit-x   1 3
name           "XA"
lambda         0 1
spin           1 1
sigma          1 0 
<x|LZ|y>       0 -i
factor         i
units          angstrom cm-1
type           grid
values
0.6	24.1104194
0.61	23.96398827
0.62	23.81970741
0.63	23.67820496
0.64	23.54004084
0.65	23.4056705
0.66	23.27691683
0.67	23.15104214
0.68	23.02958876
0.69	22.91255614
0.7	22.79986662
0.71	22.6913802
0.72	22.58690827
0.73	22.4862223
0.74	22.3890785
0.75	22.2952259
0.76	22.20461472
0.77	22.11653722
0.78	22.0309612
0.79	21.94764169
0.8	21.86635803
0.81	21.78689694
0.82	21.70908667
0.83	21.6327509
0.84	21.55773795
0.85	21.48391104
0.86	21.41114047
0.87	21.33925165
0.88	21.26822245
0.89	21.19796499
0.9	21.12838414
0.91	21.05939366
0.92	20.99092132
0.93	20.92290575
0.94	20.85529454
0.95	20.78803916
0.96	20.72109682
0.97	20.65442983
0.98	20.58800529
0.99	20.52179393
1	20.45538003
1.01	20.38950683
1.02	20.32376667
1.03	20.25812884
1.04	20.19255272
1.05	20.12698359
1.06	20.06135656
1.07	19.99555635
1.08	19.92943116
1.09	19.86279511
1.1	19.79583768
1.11	19.7281865
1.12	19.66033215
1.13	19.59236475
1.14	19.52419587
1.15	19.45566929
1.16	19.38663595
1.17	19.31697237
1.18	19.24652853
1.19	19.17531808
1.2	19.10321176
1.21	19.03013675
1.22	18.95602269
1.23	18.88079639
1.24	18.80438159
1.25	18.72670145
1.26	18.64767368
1.27	18.56721105
1.28	18.48522516
1.29	18.4016008
1.3	18.31623397
1.31	18.22900614
1.32	18.1397908
1.33	18.0484552
1.34	17.95485797
1.35	17.85885599
1.36	17.76030332
1.37	17.6590543
1.38	17.55496594
1.39	17.44790017
1.4	17.33771382
1.41	17.22429927
1.42	17.10752014
1.43	16.98725238
1.44	16.86337077
1.45	16.75124915
1.46	16.61924233
1.47	16.48323427
1.48	16.34308433
1.49	16.1986502
1.5	16.04986299
1.51	15.8964378
1.52	15.73831797
1.53	15.57538257
1.54	15.40752162
1.55	15.23463701
1.56	15.05664862
1.57	14.87078676
1.58	14.68221418
1.59	14.48842289
1.6	14.28942816
1.61	14.08527293
1.62	13.87602912
1.63	13.67172143
1.64	13.45221491
1.65	13.22802406
1.66	12.99934778
1.67	12.76643502
1.68	12.52951262
1.69	12.28889185
1.7	12.0449043
1.71	11.79788071
1.72	11.54820352
1.73	11.29626819
1.74	11.04248843
1.75	10.78729292
1.76	10.53112147
1.77	10.27442093
1.78	10.01764116
1.79	9.76123085
1.8	9.505633323
1.81	9.251734111
1.82	8.999035717
1.83	8.7484109
1.84	8.501393397
1.85	8.25598462
1.86	8.013743001
1.87	7.774982886
1.88	7.539991706
1.89	7.309029198
1.9	7.082326807
1.91	6.860087581
1.92	6.642490516
1.93	6.429752564
1.94	6.221843426
1.95	6.018938063
1.96	5.821108921
1.97	5.628405991
1.98	5.440858539
1.99	5.258472728
2	5.081248487
2.01	4.90915831
2.02	4.742164335
2.03	4.580200096
2.04	4.423263254
2.05	4.271218155
2.06	4.123951722
2.07	3.98143189
2.08	3.843564396
2.09	3.71024928
2.1	3.581381769
2.11	3.456853773
2.12	3.336554734
2.13	3.220372144
2.14	3.108197468
2.15	2.999905113
2.16	2.89538759
2.17	2.794531662
2.18	2.697225087
2.19	2.603356796
2.2	2.512824785
2.21	2.425506401
2.22	2.341303546
2.23	2.260112645
2.24	2.181831442
2.25	2.106413728
2.26	2.033431588
2.27	1.963298908
2.28	1.895695808
2.29	1.830533196
2.3	1.767724578
2.31	1.707185941
2.32	1.654571927
2.33	1.598297695
2.34	1.544057344
2.35	1.491776928
2.36	1.441393525
2.37	1.392812486
2.38	1.345992225
2.39	1.300860153
2.4	1.257354187
2.41	1.215414637
2.42	1.17498405
2.43	1.136007179
2.44	1.09843096
2.45	1.062204274
2.46	1.027277308
2.47	0.993601211
2.48	0.96113372
2.49	0.929820156
2.5	0.899623052
2.51	0.870501568
2.52	0.8424162
2.53	0.815328762
2.54	0.789202343
2.55	0.764001395
2.56	0.739691731
2.57	0.71624052
2.58	0.693618853
2.59	0.671791005
2.6	0.650732206
2.61	0.630412017
2.62	0.610804805
2.63	0.591884768
2.64	0.573627066
2.65	0.556007765
2.66	0.539003812
2.67	0.522592983
2.68	0.506753856
2.69	0.491465184
2.7	0.476708644
2.71	0.462462953
2.72	0.448712286
2.73	0.435437696
2.74	0.42262219
2.75	0.410249372
2.76	0.398303504
2.77	0.386769413
2.78	0.37563251
2.79	0.364878764
2.8	0.354494669
2.81	0.344467229
2.82	0.334784368
2.83	0.325433156
2.84	0.316402489
2.85	0.307681079
2.86	0.299258155
2.87	0.291123279
2.88	0.283266323
2.89	0.275677548
2.9	0.268347481
2.91	0.261266975
2.92	0.254427177
2.93	0.247819582
2.94	0.241435796
2.95	0.2352677
2.96	0.229307416
2.97	0.223546867
2.98	0.217978338
2.99	0.212595768
3	0.20740429
3.01	0.202443786
3.02	0.197682069
3.03	0.193021635
3.04	0.188501081
3.05	0.184129928
3.06	0.179906033
3.07	0.175825136
3.08	0.171882393
3.09	0.168072938
3.1	0.164392057
3.11	0.160835132
3.12	0.157397952
3.13	0.154076246
3.14	0.150865967
3.15	0.147763238
3.16	0.144764271
3.17	0.141865467
3.18	0.139063305
3.19	0.136354461
3.2	0.133735645
3.21	0.131203738
3.22	0.12875572
3.23	0.126388598
3.24	0.124099587
3.25	0.121885955
3.26	0.119745059
3.27	0.117674387
3.28	0.11567151
3.29	0.113734084
3.3	0.111859887
3.31	0.110046795
3.32	0.108292808
3.33	0.10659602
3.34	0.104954684
3.35	0.103367027
3.36	0.101831425
3.37	0.100346265
3.38	0.098910049
3.39	0.097521435
3.4	0.096179186
3.41	0.094880779
3.42	0.093615421
3.43	0.0923838
3.44	0.091205498
3.45	0.090068932
3.46	0.088969114
3.47	0.087904485
3.48	0.0868739
3.49	0.085876283
3.5	0.084910594
3.51	0.08397584
3.52	0.083071043
3.53	0.082195834
3.54	0.081348344
3.55	0.080528211
3.56	0.079734578
3.57	0.078966637
3.58	0.078223696
3.59	0.077504856
3.6	0.076809568
3.61	0.076137007
3.62	0.075486459
3.63	0.074857225
3.64	0.074248617
3.65	0.073659966
3.66	0.073090614
3.67	0.072539917
3.68	0.072007263
3.69	0.071492019
3.7	0.070993599
3.71	0.070511428
3.72	0.070044946
3.73	0.069593613
3.74	0.0691569
3.75	0.068734299
3.76	0.068325324
3.77	0.067929486
3.78	0.067546335
3.79	0.067175424
3.8	0.066816325
3.81	0.066468619
3.82	0.066131907
3.83	0.065805812
3.84	0.065489936
3.85	0.065183938
3.86	0.064887447
3.87	0.064600136
3.88	0.064321678
3.89	0.064051278
3.9	0.063789592
3.91	0.063535862
3.92	0.063289799
3.93	0.063051181
3.94	0.062819746
3.95	0.062595298
3.96	0.062377623
3.97	0.062166569
3.98	0.061962006
3.99	0.061763829
4	0.061572011
end

spin-orbit-x   1 4
name           "Xb"
lambda         0 0
spin           1 0
sigma          0 0 
<x|LZ|y>       0 0
factor         i
units          angstrom cm-1
type           grid
values
0.6	-68.74238119
0.61	-68.56479406
0.62	-68.39399872
0.63	-68.22928948
0.64	-68.07044643
0.65	-67.91756135
0.66	-67.77226897
0.67	-67.63283736
0.68	-67.50024273
0.69	-67.37476588
0.7	-67.25662475
0.71	-67.14595707
0.72	-67.04281846
0.73	-66.94718568
0.74	-66.8589628
0.75	-66.77799083
0.76	-66.70406553
0.77	-66.63694714
0.78	-66.57636937
0.79	-66.5220661
0.8	-66.4737586
0.81	-66.43118426
0.82	-66.39293719
0.83	-66.36109047
0.84	-66.33425235
0.85	-66.31417929
0.86	-66.29673712
0.87	-66.28371279
0.88	-66.2749376
0.89	-66.27024973
0.9	-66.26949053
0.91	-66.27250831
0.92	-66.27915554
0.93	-66.28928908
0.94	-66.30276947
0.95	-66.31946086
0.96	-66.3392278
0.97	-66.36193743
0.98	-66.38745868
0.99	-66.41566324
1	-66.44642566
1.01	-66.47962216
1.02	-66.51513025
1.03	-66.55282924
1.04	-66.59259953
1.05	-66.63432209
1.06	-66.67787816
1.07	-66.72314871
1.08	-66.7700451
1.09	-66.8183848
1.1	-66.86904716
1.11	-66.91993155
1.12	-66.97193297
1.13	-67.02491741
1.14	-67.07798335
1.15	-67.13256942
1.16	-67.18778224
1.17	-67.24350796
1.18	-67.29966332
1.19	-67.35608468
1.2	-67.41269979
1.21	-67.46941075
1.22	-67.5261257
1.23	-67.5827615
1.24	-67.6392412
1.25	-67.69549147
1.26	-67.75144127
1.27	-67.80702075
1.28	-67.862161
1.29	-67.91679365
1.3	-67.97085024
1.31	-68.02426149
1.32	-68.07695693
1.33	-68.12886436
1.34	-68.17990986
1.35	-68.23001752
1.36	-68.27910944
1.37	-68.32710592
1.38	-68.37392565
1.39	-68.41948565
1.4	-68.46370091
1.41	-68.50648658
1.42	-68.54775446
1.43	-68.58741833
1.44	-68.62300966
1.45	-68.69766963
1.46	-68.73055111
1.47	-68.76152633
1.48	-68.79050759
1.49	-68.81740752
1.5	-68.84208327
1.51	-68.86456377
1.52	-68.88470584
1.53	-68.90242484
1.54	-68.91763396
1.55	-68.93024559
1.56	-68.94017705
1.57	-68.94735997
1.58	-68.95172912
1.59	-68.95321545
1.6	-68.95174938
1.61	-68.94918879
1.62	-68.94164686
1.63	-68.98879059
1.64	-68.9730318
1.65	-68.95407794
1.66	-68.93188086
1.67	-68.90640829
1.68	-68.87759894
1.69	-68.84543302
1.7	-68.80988102
1.71	-68.77091831
1.72	-68.72852966
1.73	-68.68270409
1.74	-68.63343675
1.75	-68.58072914
1.76	-68.52458923
1.77	-68.46503167
1.78	-68.4020778
1.79	-68.33575585
1.8	-68.26610101
1.81	-68.19371645
1.82	-68.11750074
1.83	-68.03809906
1.84	-67.9623427
1.85	-67.87658273
1.86	-67.78784517
1.87	-67.69621079
1.88	-67.60176664
1.89	-67.50460556
1.9	-67.40482552
1.91	-67.30252942
1.92	-67.19782483
1.93	-67.09082911
1.94	-66.98164652
1.95	-66.87040283
1.96	-66.75722058
1.97	-66.6422249
1.98	-66.52554366
1.99	-66.40730157
2	-66.28763969
2.01	-66.16668605
2.02	-66.04286828
2.03	-65.91975872
2.04	-65.79713737
2.05	-65.68045479
2.06	-65.55479226
2.07	-65.42862685
2.08	-65.30208379
2.09	-65.17528592
2.1	-65.04835341
2.11	-64.92140364
2.12	-64.79455093
2.13	-64.66790633
2.14	-64.54157675
2.15	-64.41566632
2.16	-64.29027492
2.17	-64.1654983
2.18	-64.0414281
2.19	-63.91815176
2.2	-63.79575317
2.21	-63.67430969
2.22	-63.55389664
2.23	-63.43458739
2.24	-63.31643987
2.25	-63.1995664
2.26	-63.08557882
2.27	-62.97123788
2.28	-62.85828505
2.29	-62.74676526
2.3	-62.63671947
2.31	-62.52818475
2.32	-62.42119446
2.33	-62.31577832
2.34	-62.21196259
2.35	-62.10977016
2.36	-62.00921923
2.37	-61.91037662
2.38	-61.81315754
2.39	-61.71762362
2.4	-61.62378331
2.41	-61.53164176
2.42	-61.44120087
2.43	-61.35246029
2.44	-61.26541813
2.45	-61.18007109
2.46	-61.09641389
2.47	-61.01443895
2.48	-60.93414574
2.49	-60.85550482
2.5	-60.77851356
2.51	-60.70315866
2.52	-60.63134141
2.53	-60.55920251
2.54	-60.48865297
2.55	-60.41967492
2.56	-60.35224978
2.57	-60.28635797
2.58	-60.22197995
2.59	-60.15909392
2.6	-60.09767863
2.61	-60.03771211
2.62	-59.97917222
2.63	-59.9220362
2.64	-59.86628096
2.65	-59.81188315
2.66	-59.75881921
2.67	-59.70706539
2.68	-59.65659786
2.69	-59.60739327
2.7	-59.55942643
2.71	-59.5126738
2.72	-59.46711184
2.73	-59.42271656
2.74	-59.37946423
2.75	-59.33733122
2.76	-59.29629412
2.77	-59.25632959
2.78	-59.21741466
2.79	-59.17952644
2.8	-59.1426423
2.81	-59.10673988
2.82	-59.0717973
2.83	-59.03779232
2.84	-59.00470363
2.85	-58.97251002
2.86	-58.94119063
2.87	-58.91072487
2.88	-58.88109256
2.89	-58.85227379
2.9	-58.82424907
2.91	-58.79699912
2.92	-58.77050503
2.93	-58.74474828
2.94	-58.71971049
2.95	-58.69537391
2.96	-58.67172098
2.97	-58.6487347
2.98	-58.62639833
2.99	-58.60469459
3	-58.58360058
3.01	-58.56307764
3.02	-58.54312809
3.03	-58.52378051
3.04	-58.50499713
3.05	-58.48675399
3.06	-58.46903536
3.07	-58.45182717
3.08	-58.43511593
3.09	-58.41888846
3.1	-58.40313188
3.11	-58.38783356
3.12	-58.37298115
3.13	-58.35856256
3.14	-58.34456599
3.15	-58.33097991
3.16	-58.31779305
3.17	-58.30499445
3.18	-58.29257336
3.19	-58.28051934
3.2	-58.26882219
3.21	-58.25747196
3.22	-58.24645895
3.23	-58.2357737
3.24	-58.225407
3.25	-58.21534988
3.26	-58.20559358
3.27	-58.19439205
3.28	-58.18521634
3.29	-58.17631634
3.3	-58.16768416
3.31	-58.15931212
3.32	-58.15119274
3.33	-58.14331877
3.34	-58.13568308
3.35	-58.12827874
3.36	-58.12109902
3.37	-58.11413735
3.38	-58.10738739
3.39	-58.10084293
3.4	-58.09449787
3.41	-58.08834617
3.42	-58.08238172
3.43	-58.07660095
3.44	-58.07099829
3.45	-58.0655673
3.46	-58.06030302
3.47	-58.05520066
3.48	-58.05025546
3.49	-58.04546282
3.5	-58.04081822
3.51	-58.0363173
3.52	-58.03195578
3.53	-58.02772954
3.54	-58.02363455
3.55	-58.01981675
3.56	-58.01597357
3.57	-58.01225027
3.58	-58.00864328
3.59	-58.00514887
3.6	-58.00176414
3.61	-57.99848557
3.62	-57.99530997
3.63	-57.99223428
3.64	-57.98925545
3.65	-57.9863706
3.66	-57.9835769
3.67	-57.98087158
3.68	-57.97825201
3.69	-57.97571559
3.7	-57.97325981
3.71	-57.97088224
3.72	-57.96858052
3.73	-57.96635236
3.74	-57.96419554
3.75	-57.96210791
3.76	-57.96008737
3.77	-57.95813186
3.78	-57.9562395
3.79	-57.9544083
3.8	-57.95263644
3.81	-57.95092217
3.82	-57.94926372
3.83	-57.94765939
3.84	-57.94610756
3.85	-57.94460663
3.86	-57.94315506
3.87	-57.94175137
3.88	-57.94039412
3.89	-57.93908188
3.9	-57.9378133
3.91	-57.93658712
3.92	-57.935402
3.93	-57.93425665
3.94	-57.93314994
3.95	-57.93208071
3.96	-57.93104781
3.97	-57.9300502
3.98	-57.92908685
3.99	-57.92815673
4	-57.92725886
end

spin-orbit-x   1 5
name           "Xc"
lambda         0 1
spin           1 0
sigma          1 0
<x|LZ|y>       0 -i
factor         i
units          angstrom cm-1
type           grid
values
0.6	23.73690493
0.61	23.52707182
0.62	23.32287727
0.63	23.12541061
0.64	22.9354446
0.65	22.75347438
0.66	22.57940268
0.67	22.41407345
0.68	22.2569396
0.69	22.10778712
0.7	21.96631605
0.71	21.83216246
0.72	21.70491582
0.73	21.58412767
0.74	21.46933008
0.75	21.36007525
0.76	21.25588023
0.77	21.15627839
0.78	21.06086112
0.79	20.96920114
0.8	20.88092046
0.81	20.79566903
0.82	20.71312585
0.83	20.63300063
0.84	20.55503177
0.85	20.47898375
0.86	20.40463811
0.87	20.33178439
0.88	20.26027779
0.89	20.19000222
0.9	20.12081187
0.91	20.05259201
0.92	19.98524646
0.93	19.91869407
0.94	19.85287318
0.95	19.78773347
0.96	19.72323466
0.97	19.65934773
0.98	19.59605233
0.99	19.53333448
1	19.47118322
1.01	19.40958699
1.02	19.34853942
1.03	19.28803489
1.04	19.22801879
1.05	19.16853512
1.06	19.10952124
1.07	19.05089796
1.08	18.99269324
1.09	18.93482976
1.1	18.8774391
1.11	18.8185626
1.12	18.76116986
1.13	18.7037987
1.14	18.64636093
1.15	18.58876362
1.16	18.53091385
1.17	18.47271838
1.18	18.41413292
1.19	18.35498173
1.2	18.29522655
1.21	18.23478939
1.22	18.17359614
1.23	18.11157501
1.24	18.04865738
1.25	17.98478109
1.26	17.91988907
1.27	17.85386775
1.28	17.7867805
1.29	17.71850904
1.3	17.64894919
1.31	17.57787881
1.32	17.50480494
1.33	17.42875652
1.34	17.34833207
1.35	17.26038735
1.36	17.16970209
1.37	17.07605104
1.38	16.98084912
1.39	16.88436511
1.4	16.78622332
1.41	16.68591322
1.42	16.5829967
1.43	16.47713869
1.44	16.36804407
1.45	16.27157937
1.46	16.15497569
1.47	16.03472118
1.48	15.91071581
1.49	15.78287843
1.5	15.65077842
1.51	15.51504066
1.52	15.37532376
1.53	15.23160675
1.54	15.08388757
1.55	14.93217939
1.56	14.77651088
1.57	14.61692757
1.58	14.45349377
1.59	14.28629123
1.6	14.11541918
1.61	13.94099362
1.62	13.76314709
1.63	13.60095854
1.64	13.4157845
1.65	13.22771054
1.66	13.03693287
1.67	12.84365458
1.68	12.64811235
1.69	12.45053162
1.7	12.25115993
1.71	12.05024
1.72	11.84803334
1.73	11.644802
1.74	11.44081065
1.75	11.23632483
1.76	11.03160894
1.77	10.82692459
1.78	10.62252863
1.79	10.41867155
1.8	10.21559575
1.81	10.01380312
1.82	9.812964258
1.83	9.613573015
1.84	9.416856222
1.85	9.220875285
1.86	9.026898706
1.87	8.835083439
1.88	8.64557184
1.89	8.458492448
1.9	8.273959702
1.91	8.092074287
1.92	7.912923458
1.93	7.736692353
1.94	7.563219338
1.95	7.392668639
1.96	7.225079438
1.97	7.060483971
1.98	6.898902362
1.99	6.740345959
2	6.584822041
2.01	6.432326999
2.02	6.282852565
2.03	6.136371082
2.04	5.992921672
2.05	5.852968808
2.06	5.715320762
2.07	5.58058374
2.08	5.448724179
2.09	5.319705177
2.1	5.193486915
2.11	5.070028358
2.12	4.949287745
2.13	4.831221751
2.14	4.715797082
2.15	4.602943889
2.16	4.492628696
2.17	4.384805075
2.18	4.279426375
2.19	4.176446011
2.2	4.075823078
2.21	3.977500282
2.22	3.881437831
2.23	3.787590409
2.24	3.69591167
2.25	3.606393371
2.26	3.518789548
2.27	3.433357252
2.28	3.349923284
2.29	3.268446025
2.3	3.188884344
2.31	3.111202671
2.32	3.035351684
2.33	2.961296589
2.34	2.888998818
2.35	2.818420359
2.36	2.749537481
2.37	2.682285728
2.38	2.616643487
2.39	2.552575677
2.4	2.490047637
2.41	2.429025519
2.42	2.369476372
2.43	2.311368339
2.44	2.254670559
2.45	2.19935266
2.46	2.145383805
2.47	2.092732431
2.48	2.041367396
2.49	1.991260632
2.5	1.942383997
2.51	1.894710649
2.52	1.84821394
2.53	1.802867349
2.54	1.758644667
2.55	1.715520042
2.56	1.684084733
2.57	1.643064744
2.58	1.603072056
2.59	1.564072957
2.6	1.526051447
2.61	1.488982288
2.62	1.452844398
2.63	1.417616217
2.64	1.383276658
2.65	1.349805023
2.66	1.317181103
2.67	1.285384947
2.68	1.254397119
2.69	1.224198019
2.7	1.194770827
2.71	1.166096557
2.72	1.138155966
2.73	1.11093239
2.74	1.084408854
2.75	1.058568669
2.76	1.033395532
2.77	1.008873488
2.78	0.984986942
2.79	0.961720649
2.8	0.939059703
2.81	0.916989521
2.82	0.895496258
2.83	0.874565127
2.84	0.854183019
2.85	0.834336258
2.86	0.815011814
2.87	0.796196798
2.88	0.777878355
2.89	0.760044062
2.9	0.742681592
2.91	0.725778903
2.92	0.709324104
2.93	0.693310262
2.94	0.677716789
2.95	0.662536826
2.96	0.647759051
2.97	0.633371831
2.98	0.619363633
2.99	0.605725814
3	0.592470467
3.01	0.579680275
3.02	0.567325208
3.03	0.555181817
3.04	0.543306985
3.05	0.53174398
3.06	0.520495664
3.07	0.50955542
3.08	0.498915046
3.09	0.488566143
3.1	0.478500721
3.11	0.468711061
3.12	0.459189676
3.13	0.449929362
3.14	0.440923096
3.15	0.432164144
3.16	0.423645867
3.17	0.41536403
3.18	0.407307941
3.19	0.399473736
3.2	0.391855483
3.21	0.384447399
3.22	0.377243852
3.23	0.370239319
3.24	0.363428428
3.25	0.356805972
3.26	0.350366869
3.27	0.344106173
3.28	0.338019097
3.29	0.332100981
3.3	0.32634735
3.31	0.320753834
3.32	0.315316289
3.33	0.310030708
3.34	0.304893295
3.35	0.299900398
3.36	0.295048515
3.37	0.290334237
3.38	0.285754371
3.39	0.281305894
3.4	0.276985802
3.41	0.272788486
3.42	0.268693013
3.43	0.264703729
3.44	0.260854362
3.45	0.257121233
3.46	0.253494912
3.47	0.249972012
3.48	0.246549767
3.49	0.243225416
3.5	0.239996252
3.51	0.236859619
3.52	0.233812923
3.53	0.23085367
3.54	0.227979423
3.55	0.225187827
3.56	0.222476596
3.57	0.21984351
3.58	0.217286416
3.59	0.214803138
3.6	0.212391805
3.61	0.210050336
3.62	0.207776807
3.63	0.205569327
3.64	0.203426071
3.65	0.201345258
3.66	0.199325156
3.67	0.197364077
3.68	0.195460382
3.69	0.193612469
3.7	0.191818781
3.71	0.190077778
3.72	0.188388025
3.73	0.186748061
3.74	0.185156486
3.75	0.183611926
3.76	0.182113058
3.77	0.180658581
3.78	0.17924723
3.79	0.177877776
3.8	0.176559287
3.81	0.175269856
3.82	0.174018825
3.83	0.172805089
3.84	0.171627578
3.85	0.17048524
3.86	0.169377061
3.87	0.168302059
3.88	0.167259264
3.89	0.166247762
3.9	0.165266634
3.91	0.164315017
3.92	0.163392327
3.93	0.162497215
3.94	0.161629166
3.95	0.160787437
3.96	0.159971311
3.97	0.159180133
3.98	0.158413279
3.99	0.157670156
4	0.156950255
end

spin-orbit-x   2 3
name           "aA"
lambda         2 1
spin           0 1
sigma          0 1
<x|LZ|y>       2i -i
factor         i
units          angstrom cm-1
type           grid
values
0.6	22.51316693
0.61	22.35755623
0.62	22.20347823
0.63	22.05209639
0.64	21.90439686
0.65	21.76115881
0.66	21.62468649
0.67	21.49189174
0.68	21.36466094
0.69	21.24304145
0.7	21.12696403
0.71	21.01626599
0.72	20.91071251
0.73	20.8100134
0.74	20.71383851
0.75	20.62184239
0.76	20.53390082
0.77	20.44918339
0.78	20.36756917
0.79	20.28872383
0.8	20.2123348
0.81	20.13811435
0.82	20.06580263
0.83	19.99516673
0.84	19.92599808
0.85	19.85811088
0.86	19.79133761
0.87	19.72548017
0.88	19.66048843
0.89	19.5965205
0.9	19.53284723
0.91	19.46969549
0.92	19.40697968
0.93	19.34463066
0.94	19.28259049
0.95	19.22080909
0.96	19.15924661
0.97	19.09787144
0.98	19.03665889
0.99	18.97558934
1	18.91425112
1.01	18.85341298
1.02	18.79266983
1.03	18.73200266
1.04	18.67138249
1.05	18.61075718
1.06	18.55006791
1.07	18.48919125
1.08	18.42795004
1.09	18.36617011
1.1	18.30411197
1.11	18.24126035
1.12	18.17822108
1.13	18.11508766
1.14	18.0517514
1.15	17.98802968
1.16	17.92374461
1.17	17.85876658
1.18	17.79298093
1.19	17.72628683
1.2	17.65860022
1.21	17.58984307
1.22	17.51994291
1.23	17.4488237
1.24	17.37641999
1.25	17.30264568
1.26	17.22742039
1.27	17.15065739
1.28	17.07227295
1.29	16.99214318
1.3	16.91016733
1.31	16.82622485
1.32	16.74018621
1.33	16.65191471
1.34	16.56126356
1.35	16.46808428
1.36	16.37222523
1.37	16.27353539
1.38	16.17186727
1.39	16.06707876
1.4	15.9590208
1.41	15.84759147
1.42	15.73265219
1.43	15.61408051
1.44	15.491754
1.45	15.37954953
1.46	15.24889199
1.47	15.11409692
1.48	14.97502549
1.49	14.83153701
1.5	14.68348028
1.51	14.53074048
1.52	14.37317688
1.53	14.21066929
1.54	14.04310906
1.55	13.87040028
1.56	13.69246624
1.57	13.50609369
1.58	13.3173093
1.59	13.12319197
1.6	12.92376138
1.61	12.71906621
1.62	12.50918487
1.63	12.31389155
1.64	12.09321783
1.65	11.86779325
1.66	11.63782528
1.67	11.40355951
1.68	11.16525596
1.69	10.9232229
1.7	10.67779129
1.71	10.42931959
1.72	10.17819025
1.73	9.924807502
1.74	9.669593392
1.75	9.412984552
1.76	9.155428228
1.77	8.897378104
1.78	8.63929023
1.79	8.381618874
1.8	8.124812119
1.81	7.86993143
1.82	7.616134886
1.83	7.364473925
1.84	7.116441971
1.85	6.870124242
1.86	6.62703883
1.87	6.387499771
1.88	6.151793724
1.89	5.920179068
1.9	5.692885396
1.91	5.470113543
1.92	5.252040981
1.93	5.038843823
1.94	4.830562562
1.95	4.627331789
1.96	4.429220576
1.97	4.23627552
1.98	4.048522488
1.99	3.865968089
2	3.68860139
2.01	3.516395942
2.02	3.349310884
2.03	3.187292916
2.04	3.030278457
2.05	2.879306665
2.06	2.731980822
2.07	2.589415587
2.08	2.451514944
2.09	2.318177335
2.1	2.189296633
2.11	2.064763712
2.12	1.944467053
2.13	1.828293177
2.14	1.716129258
2.15	1.607855538
2.16	1.503360929
2.17	1.402531851
2.18	1.305255885
2.19	1.211421988
2.2	1.120927367
2.21	1.0336512
2.22	0.949494914
2.23	0.868354937
2.24	0.790128855
2.25	0.714794129
2.26	0.642089657
2.27	0.572022212
2.28	0.504491104
2.29	0.439407379
2.3	0.376685037
2.31	0.316240351
2.32	0.26484454
2.33	0.208683517
2.34	0.154564714
2.35	0.102414317
2.36	0.052167781
2.37	0.003739773
2.38	-0.04292474
2.39	-0.087891273
2.4	-0.131221227
2.41	-0.172973921
2.42	-0.213207171
2.43	-0.251977074
2.44	-0.289337362
2.45	-0.325339452
2.46	-0.360033026
2.47	-0.393466684
2.48	-0.425674968
2.49	-0.4567289
2.5	-0.486658037
2.51	-0.515503559
2.52	-0.543305281
2.53	-0.570101745
2.54	-0.59593017
2.55	-0.620826432
2.56	-0.644825047
2.57	-0.66795915
2.58	-0.690258096
2.59	-0.711756572
2.6	-0.732481938
2.61	-0.7524636
2.62	-0.771727576
2.63	-0.790299947
2.64	-0.808205818
2.65	-0.825469459
2.66	-0.842114211
2.67	-0.858162621
2.68	-0.873636428
2.69	-0.888556901
2.7	-0.902943215
2.71	-0.916817243
2.72	-0.930194295
2.73	-0.943093982
2.74	-0.955533592
2.75	-0.967529814
2.76	-0.979098663
2.77	-0.990255574
2.78	-1.001015391
2.79	-1.011392373
2.8	-1.021400293
2.81	-1.031052349
2.82	-1.040360871
2.83	-1.04933886
2.84	-1.057997614
2.85	-1.066348689
2.86	-1.074402944
2.87	-1.082170995
2.88	-1.089663118
2.89	-1.096889208
2.9	-1.1038589
2.91	-1.110581495
2.92	-1.117066033
2.93	-1.123321193
2.94	-1.129355601
2.95	-1.135177509
2.96	-1.140795087
2.97	-1.146216726
2.98	-1.151450448
2.99	-1.156502119
3	-1.161363165
3.01	-1.165979931
3.02	-1.170390333
3.03	-1.174722909
3.04	-1.178926932
3.05	-1.182986243
3.06	-1.186901749
3.07	-1.190677565
3.08	-1.194318599
3.09	-1.197829824
3.1	-1.201216047
3.11	-1.204482001
3.12	-1.20763187
3.13	-1.210670006
3.14	-1.213600483
3.15	-1.216427191
3.16	-1.219153947
3.17	-1.221784354
3.18	-1.224321946
3.19	-1.22677002
3.2	-1.229131873
3.21	-1.23141062
3.22	-1.233609264
3.23	-1.235730791
3.24	-1.237777975
3.25	-1.239753519
3.26	-1.241660042
3.27	-1.243500026
3.28	-1.245275879
3.29	-1.24698988
3.3	-1.248644253
3.31	-1.250241042
3.32	-1.251782182
3.33	-1.253269506
3.34	-1.254704676
3.35	-1.256089365
3.36	-1.257425156
3.37	-1.258713599
3.38	-1.259956159
3.39	-1.261154108
3.4	-1.262308648
3.41	-1.263422182
3.42	-1.264504751
3.43	-1.265555383
3.44	-1.266556183
3.45	-1.267518203
3.46	-1.268446088
3.47	-1.269341328
3.48	-1.270205016
3.49	-1.271038197
3.5	-1.271841861
3.51	-1.272616952
3.52	-1.273364382
3.53	-1.274084334
3.54	-1.274778853
3.55	-1.275448099
3.56	-1.276092916
3.57	-1.276714026
3.58	-1.277312038
3.59	-1.277887733
3.6	-1.278441778
3.61	-1.278974838
3.62	-1.279487583
3.63	-1.279980663
3.64	-1.280454719
3.65	-1.280910399
3.66	-1.281348282
3.67	-1.281768989
3.68	-1.282173085
3.69	-1.282561183
3.7	-1.282933826
3.71	-1.283291551
3.72	-1.283634891
3.73	-1.28396436
3.74	-1.284280432
3.75	-1.284583593
3.76	-1.2848743
3.77	-1.285153001
3.78	-1.285420122
3.79	-1.285676076
3.8	-1.285921249
3.81	-1.286156049
3.82	-1.286380837
3.83	-1.286595955
3.84	-1.286801784
3.85	-1.286998638
3.86	-1.28718684
3.87	-1.287366704
3.88	-1.287538525
3.89	-1.287703216
3.9	-1.287859807
3.91	-1.288009158
3.92	-1.288151532
3.93	-1.288287143
3.94	-1.288416191
3.95	-1.288538858
3.96	-1.28865527
3.97	-1.288765561
3.98	-1.288869804
3.99	-1.288968015
4	-1.289060145
end

spin-orbit-x   3 4
name           "Ab"
lambda         1 0
spin           1 0 
sigma         -1 0
<x|LZ|y>      -i 0
factor         i
units          angstrom cm-1
type           grid
values
0.6	-17.79928477
0.61	-17.6546914
0.62	-17.51631499
0.63	-17.38474181
0.64	-17.26030129
0.65	-17.14312028
0.66	-17.03031178
0.67	-16.92756586
0.68	-16.83167417
0.69	-16.7423611
0.7	-16.65931533
0.71	-16.58220097
0.72	-16.5106683
0.73	-16.444361
0.74	-16.38292223
0.75	-16.32599294
0.76	-16.27351712
0.77	-16.22456462
0.78	-16.17913181
0.79	-16.1369372
0.8	-16.09770901
0.81	-16.06120513
0.82	-16.02707724
0.83	-15.99538362
0.84	-15.96581111
0.85	-15.93778988
0.86	-15.91198913
0.87	-15.88790299
0.88	-15.86543699
0.89	-15.84445965
0.9	-15.82489259
0.91	-15.80668714
0.92	-15.7898006
0.93	-15.77420193
0.94	-15.75987535
0.95	-15.74681687
0.96	-15.73503328
0.97	-15.72453983
0.98	-15.71535896
0.99	-15.7075181
1	-15.7010484
1.01	-15.69598176
1.02	-15.69235729
1.03	-15.69032027
1.04	-15.68969405
1.05	-15.69064205
1.06	-15.6931955
1.07	-15.69745717
1.08	-15.70356824
1.09	-15.71171274
1.1	-15.72211093
1.11	-15.73442142
1.12	-15.74825854
1.13	-15.76378359
1.14	-15.78129609
1.15	-15.79992316
1.16	-15.82052875
1.17	-15.84264242
1.18	-15.86660474
1.19	-15.89247873
1.2	-15.92032392
1.21	-15.95019946
1.22	-15.98216577
1.23	-16.01628727
1.24	-16.05263182
1.25	-16.09126716
1.26	-16.13226299
1.27	-16.17569009
1.28	-16.22160036
1.29	-16.27010735
1.3	-16.32126651
1.31	-16.3751538
1.32	-16.43184601
1.33	-16.49141905
1.34	-16.55395116
1.35	-16.61951517
1.36	-16.68818053
1.37	-16.76000998
1.38	-16.83505758
1.39	-16.91336697
1.4	-16.99498111
1.41	-17.11571781
1.42	-17.16814459
1.43	-17.25971921
1.44	-17.39009428
1.45	-17.50468203
1.46	-17.60570013
1.47	-17.71002454
1.48	-17.81764129
1.49	-17.9285323
1.5	-18.04269595
1.51	-18.16005524
1.52	-18.2805896
1.53	-18.40424421
1.54	-18.53095026
1.55	-18.66062314
1.56	-18.79316034
1.57	-18.93040232
1.58	-19.06842267
1.59	-19.20888804
1.6	-19.35161847
1.61	-19.49625463
1.62	-19.64290155
1.63	-19.81772107
1.64	-19.9668268
1.65	-20.11703183
1.66	-20.26805574
1.67	-20.41960946
1.68	-20.57139114
1.69	-20.72309686
1.7	-20.87441854
1.71	-21.02504769
1.72	-21.17467836
1.73	-21.32301022
1.74	-21.46975137
1.75	-21.61462115
1.76	-21.75735261
1.77	-21.89769489
1.78	-22.03541528
1.79	-22.17030096
1.8	-22.30216045
1.81	-22.43104804
1.82	-22.55635633
1.83	-22.67820128
1.84	-22.79886426
1.85	-22.91346572
1.86	-23.02437287
1.87	-23.13155171
1.88	-23.23498765
1.89	-23.3346851
1.9	-23.4306652
1.91	-23.5229644
1.92	-23.61162804
1.93	-23.69672507
1.94	-23.7783304
1.95	-23.85652193
1.96	-23.93138859
1.97	-24.00302522
1.98	-24.07153131
1.99	-24.13700957
2	-24.19956519
2.01	-24.2593046
2.02	-24.31629357
2.03	-24.37071893
2.04	-24.42308656
2.05	-24.47603438
2.06	-24.5232376
2.07	-24.56825014
2.08	-24.61116939
2.09	-24.65209002
2.1	-24.69110363
2.11	-24.72829876
2.12	-24.76376065
2.13	-24.79757141
2.14	-24.82985616
2.15	-24.86059545
2.16	-24.88990941
2.17	-24.91786674
2.18	-24.9445329
2.19	-24.96997029
2.2	-24.99423922
2.21	-25.01739456
2.22	-25.03949087
2.23	-25.06058094
2.24	-25.08070949
2.25	-25.09993107
2.26	-25.11893331
2.27	-25.13644288
2.28	-25.153164
2.29	-25.16913423
2.3	-25.1843892
2.31	-25.19896273
2.32	-25.21226359
2.33	-25.22558997
2.34	-25.23832579
2.35	-25.25049857
2.36	-25.26213613
2.37	-25.27327941
2.38	-25.28391232
2.39	-25.29407911
2.4	-25.30380103
2.41	-25.31309832
2.42	-25.32199018
2.43	-25.33049483
2.44	-25.3386295
2.45	-25.34641051
2.46	-25.35385343
2.47	-25.36097325
2.48	-25.36778566
2.49	-25.37430181
2.5	-25.38053609
2.51	-25.38650086
2.52	-25.39226176
2.53	-25.39772209
2.54	-25.40294645
2.55	-25.407945
2.56	-25.4127276
2.57	-25.41730346
2.58	-25.42168285
2.59	-25.42587155
2.6	-25.4298792
2.61	-25.4337128
2.62	-25.43738017
2.63	-25.44088841
2.64	-25.44424421
2.65	-25.44745403
2.66	-25.45052414
2.67	-25.4534604
2.68	-25.45626849
2.69	-25.45895361
2.7	-25.46152125
2.71	-25.46397661
2.72	-25.46632422
2.73	-25.46856855
2.74	-25.47071408
2.75	-25.47276499
2.76	-25.47472529
2.77	-25.47659911
2.78	-25.47838959
2.79	-25.48010054
2.8	-25.48173535
2.81	-25.48329726
2.82	-25.48478976
2.83	-25.486215
2.84	-25.48757625
2.85	-25.4888762
2.86	-25.49011742
2.87	-25.49130238
2.88	-25.49243349
2.89	-25.49351298
2.9	-25.49454303
2.91	-25.49552575
2.92	-25.49646312
2.93	-25.49735714
2.94	-25.49820951
2.95	-25.49902218
2.96	-25.49979677
2.97	-25.50053487
2.98	-25.50123801
2.99	-25.5019078
3	-25.50254684
3.01	-25.50316156
3.02	-25.50375538
3.03	-25.50431385
3.04	-25.50483922
3.05	-25.50533829
3.06	-25.50581351
3.07	-25.50626593
3.08	-25.50669654
3.09	-25.50710622
3.1	-25.50749583
3.11	-25.50786622
3.12	-25.50821828
3.13	-25.50855278
3.14	-25.50887049
3.15	-25.50917219
3.16	-25.50945858
3.17	-25.50973035
3.18	-25.50998817
3.19	-25.51023269
3.2	-25.51046452
3.21	-25.51068422
3.22	-25.5108924
3.23	-25.51108961
3.24	-25.5112763
3.25	-25.51145304
3.26	-25.51162028
3.27	-25.49388565
3.28	-25.49404686
3.29	-25.49419958
3.3	-25.49434423
3.31	-25.49448117
3.32	-25.49461074
3.33	-25.49473332
3.34	-25.49484919
3.35	-25.49495863
3.36	-25.49506192
3.37	-25.49515929
3.38	-25.49525092
3.39	-25.49533699
3.4	-25.49541767
3.41	-25.49549347
3.42	-25.49556671
3.43	-25.49563754
3.44	-25.49570122
3.45	-25.4957601
3.46	-25.49581528
3.47	-25.49586706
3.48	-25.49591568
3.49	-25.49596125
3.5	-25.49600396
3.51	-25.49604401
3.52	-25.49608152
3.53	-25.49611668
3.54	-25.49614962
3.55	-25.49616246
3.56	-25.49619356
3.57	-25.49622268
3.58	-25.49625005
3.59	-25.4962757
3.6	-25.49629975
3.61	-25.49632229
3.62	-25.49634338
3.63	-25.49636311
3.64	-25.49638158
3.65	-25.49639887
3.66	-25.49641502
3.67	-25.49643015
3.68	-25.49644425
3.69	-25.49645741
3.7	-25.49646968
3.71	-25.49648113
3.72	-25.49649183
3.73	-25.49650176
3.74	-25.496511
3.75	-25.49651962
3.76	-25.4965276
3.77	-25.496535
3.78	-25.49654188
3.79	-25.49654814
3.8	-25.49655403
3.81	-25.49655948
3.82	-25.49656453
3.83	-25.49656918
3.84	-25.49657346
3.85	-25.49657739
3.86	-25.496581
3.87	-25.4965843
3.88	-25.49658732
3.89	-25.49659006
3.9	-25.49659254
3.91	-25.49659476
3.92	-25.49659676
3.93	-25.49659852
3.94	-25.49660006
3.95	-25.49660139
3.96	-25.4966025
3.97	-25.49660335
3.98	-25.49660403
3.99	-25.4966045
4	-25.49660473
end

spin-orbit-x   3 5
name           "Ac"
lambda         1 1
spin           1 0 
sigma          0 0
<x|LZ|y>      -i -i
factor         i
units          angstrom cm-1
type           grid
values
0.6	-34.67389936
0.61	-34.57712319
0.62	-34.47985575
0.63	-34.3823312
0.64	-34.28510421
0.65	-34.1888733
0.66	-34.10219455
0.67	-34.01030166
0.68	-33.92129286
0.69	-33.83559904
0.7	-33.75353638
0.71	-33.67531398
0.72	-33.60104937
0.73	-33.53078138
0.74	-33.4644826
0.75	-33.40207225
0.76	-33.34402668
0.77	-33.28896971
0.78	-33.23735071
0.79	-33.18898022
0.8	-33.14367273
0.81	-33.10123664
0.82	-33.06149221
0.83	-33.02427306
0.84	-32.98942886
0.85	-32.95682726
0.86	-32.92635502
0.87	-32.89790849
0.88	-32.87142245
0.89	-32.84682338
0.9	-32.82405551
0.91	-32.80307158
0.92	-32.78383055
0.93	-32.76629686
0.94	-32.75043801
0.95	-32.73622465
0.96	-32.7236285
0.97	-32.71262343
0.98	-32.70318415
0.99	-32.69528582
1	-32.68833297
1.01	-32.68343862
1.02	-32.68000902
1.03	-32.67801539
1.04	-32.67741453
1.05	-32.6782011
1.06	-32.68031983
1.07	-32.68373809
1.08	-32.68841682
1.09	-32.6943481
1.1	-32.70219751
1.11	-32.71066519
1.12	-32.72039703
1.13	-32.73130559
1.14	-32.74329166
1.15	-32.75627382
1.16	-32.77018525
1.17	-32.78496513
1.18	-32.80055208
1.19	-32.81688091
1.2	-32.83388145
1.21	-32.8514776
1.22	-32.86958721
1.23	-32.88812249
1.24	-32.9069895
1.25	-32.92608806
1.26	-32.94531067
1.27	-32.9645292
1.28	-32.98364501
1.29	-33.00253353
1.3	-33.0210447
1.31	-33.03899736
1.32	-33.05611476
1.33	-33.07192665
1.34	-33.08571201
1.35	-33.09641078
1.36	-33.10433096
1.37	-33.10945574
1.38	-33.11205448
1.39	-33.11204706
1.4	-33.10907778
1.41	-33.10269475
1.42	-33.09240487
1.43	-33.07769967
1.44	-33.0581181
1.45	-33.05689399
1.46	-33.02507481
1.47	-32.98687551
1.48	-32.94176605
1.49	-32.8892051
1.5	-32.82844347
1.51	-32.75928864
1.52	-32.68101343
1.53	-32.59305651
1.54	-32.49486434
1.55	-32.38589477
1.56	-32.26561901
1.57	-32.13137773
1.58	-31.98676314
1.59	-31.82938885
1.6	-31.65885176
1.61	-31.47479639
1.62	-31.27692004
1.63	-31.09558219
1.64	-30.86800105
1.65	-30.62611618
1.66	-30.3698937
1.67	-30.09937816
1.68	-29.81469574
1.69	-29.51605564
1.7	-29.20375081
1.71	-28.87815781
1.72	-28.53973431
1.73	-28.18901683
1.74	-27.82661567
1.75	-27.45320996
1.76	-27.0695411
1.77	-26.67640528
1.78	-26.27464534
1.79	-25.86514211
1.8	-25.44880503
1.81	-25.02689485
1.82	-24.59966863
1.83	-24.16841731
1.84	-23.73642068
1.85	-23.2997998
1.86	-22.86189797
1.87	-22.42357941
1.88	-21.98567122
1.89	-21.54896037
1.9	-21.11418944
1.91	-20.68205362
1.92	-20.25319917
1.93	-19.828353
1.94	-19.40778544
1.95	-18.99212693
1.96	-18.58182146
1.97	-18.17726056
1.98	-17.77878992
1.99	-17.38670954
2	-17.00127652
2.01	-16.62270848
2.02	-16.25118428
2.03	-15.88684795
2.04	-15.53009135
2.05	-15.18141814
2.06	-14.83912295
2.07	-14.50429712
2.08	-14.17694695
2.09	-13.85705685
2.1	-13.54459135
2.11	-13.23949944
2.12	-12.94171642
2.13	-12.65116446
2.14	-12.3677451
2.15	-12.09137817
2.16	-11.8219471
2.17	-11.5593389
2.18	-11.30343523
2.19	-11.0541134
2.2	-10.81124835
2.21	-10.57470945
2.22	-10.34436776
2.23	-10.12009073
2.24	-9.90174095
2.25	-9.689208709
2.26	-9.482234396
2.27	-9.280888844
2.28	-9.084947047
2.29	-8.894278728
2.3	-8.708754953
2.31	-8.528248046
2.32	-8.361733236
2.33	-8.190856647
2.34	-8.024626159
2.35	-7.862920572
2.36	-7.705635211
2.37	-7.552614911
2.38	-7.403790671
2.39	-7.259036024
2.4	-7.118243236
2.41	-6.98130677
2.42	-6.848123179
2.43	-6.718592005
2.44	-6.59261633
2.45	-6.470102101
2.46	-6.350956457
2.47	-6.235086269
2.48	-6.122399632
2.49	-6.012810919
2.5	-5.906236087
2.51	-5.802594125
2.52	-5.701805632
2.53	-5.603792646
2.54	-5.508478911
2.55	-5.415790044
2.56	-5.325653673
2.57	-5.247686841
2.58	-5.162433014
2.59	-5.079521353
2.6	-4.998893295
2.61	-4.920486624
2.62	-4.844241062
2.63	-4.770097949
2.64	-4.698000281
2.65	-4.62789239
2.66	-4.559720159
2.67	-4.493430784
2.68	-4.428972776
2.69	-4.366296423
2.7	-4.305354415
2.71	-4.246095498
2.72	-4.188477024
2.73	-4.132453035
2.74	-4.077980121
2.75	-4.025015993
2.76	-3.973519506
2.77	-3.923450716
2.78	-3.874770762
2.79	-3.827441862
2.8	-3.781427291
2.81	-3.736691367
2.82	-3.693199261
2.83	-3.650917248
2.84	-3.609812764
2.85	-3.569853263
2.86	-3.531007736
2.87	-3.493245823
2.88	-3.456537656
2.89	-3.420854313
2.9	-3.386167316
2.91	-3.352448889
2.92	-3.31967197
2.93	-3.287812916
2.94	-3.256839622
2.95	-3.226729226
2.96	-3.197455947
2.97	-3.168993471
2.98	-3.14131561
2.99	-3.114401666
3	-3.08827283
3.01	-3.063101323
3.02	-3.038849337
3.03	-3.015033814
3.04	-2.991755705
3.05	-2.969110161
3.06	-2.947105124
3.07	-2.925727188
3.08	-2.904958726
3.09	-2.8847819
3.1	-2.865179445
3.11	-2.846134653
3.12	-2.82763176
3.13	-2.809655248
3.14	-2.79219013
3.15	-2.775221981
3.16	-2.758736767
3.17	-2.742720871
3.18	-2.727160992
3.19	-2.712044378
3.2	-2.697358493
3.21	-2.683091171
3.22	-2.669230565
3.23	-2.655765188
3.24	-2.642683886
3.25	-2.629975801
3.26	-2.617630337
3.27	-2.605637265
3.28	-2.593986667
3.29	-2.582668925
3.3	-2.571674782
3.31	-2.560995294
3.32	-2.550621833
3.33	-2.540546228
3.34	-2.530761395
3.35	-2.521258038
3.36	-2.512029548
3.37	-2.50306864
3.38	-2.49436838
3.39	-2.485922246
3.4	-2.477723693
3.41	-2.46976248
3.42	-2.462008431
3.43	-2.454470126
3.44	-2.447187742
3.45	-2.440125099
3.46	-2.433268419
3.47	-2.426611601
3.48	-2.420149268
3.49	-2.413876075
3.5	-2.407786871
3.51	-2.401876535
3.52	-2.396140128
3.53	-2.390573507
3.54	-2.385170884
3.55	-2.379928347
3.56	-2.374841408
3.57	-2.369905922
3.58	-2.36511776
3.59	-2.36047281
3.6	-2.355967195
3.61	-2.35159705
3.62	-2.347358608
3.63	-2.343248197
3.64	-2.339262232
3.65	-2.335397208
3.66	-2.331658843
3.67	-2.328025424
3.68	-2.324502991
3.69	-2.321088288
3.7	-2.317778269
3.71	-2.31456993
3.72	-2.311460339
3.73	-2.30844666
3.74	-2.305526115
3.75	-2.302696011
3.76	-2.299953731
3.77	-2.297296729
3.78	-2.294722526
3.79	-2.292228718
3.8	-2.289812928
3.81	-2.287472964
3.82	-2.285206582
3.83	-2.283011652
3.84	-2.280886039
3.85	-2.278827739
3.86	-2.276834791
3.87	-2.274905284
3.88	-2.273037357
3.89	-2.271228415
3.9	-2.269478303
3.91	-2.26778455
3.92	-2.266145783
3.93	-2.264559929
3.94	-2.263025757
3.95	-2.261541841
3.96	-2.260106853
3.97	-2.258719521
3.98	-2.257378714
3.99	-2.256083382
4	-2.25483259
end

Lx             1 3
name           "XA"
lambda         0 1
spin           1 1
factor         i
<x|LZ|y>       0 -i
units          angstrom
type           grid
values
0.6	-0.857623211
0.61	-0.859833413
0.62	-0.86202929
0.63	-0.864208473
0.64	-0.86636878
0.65	-0.868508194
0.66	-0.870624851
0.67	-0.872717012
0.68	-0.874783049
0.69	-0.876821446
0.7	-0.878830783
0.71	-0.880809721
0.72	-0.882756996
0.73	-0.884671439
0.74	-0.886551966
0.75	-0.888397576
0.76	-0.890208586
0.77	-0.891981702
0.78	-0.893717458
0.79	-0.895415089
0.8	-0.897074096
0.81	-0.898693882
0.82	-0.900273996
0.83	-0.901813903
0.84	-0.90331312
0.85	-0.904771149
0.86	-0.906187465
0.87	-0.907561203
0.88	-0.908892425
0.89	-0.910180171
0.9	-0.911423778
0.91	-0.912622561
0.92	-0.913775815
0.93	-0.914882806
0.94	-0.915942787
0.95	-0.916954991
0.96	-0.917918643
0.97	-0.918832947
0.98	-0.919697089
0.99	-0.920510234
1	-0.92127293
1.01	-0.921981717
1.02	-0.922636976
1.03	-0.923237899
1.04	-0.923783748
1.05	-0.92427413
1.06	-0.924708405
1.07	-0.925086874
1.08	-0.92541054
1.09	-0.925678699
1.1	-0.925889633
1.11	-0.926037503
1.12	-0.926115778
1.13	-0.926121671
1.14	-0.926055824
1.15	-0.925919459
1.16	-0.925712968
1.17	-0.925435881
1.18	-0.925085763
1.19	-0.924664223
1.2	-0.924168343
1.21	-0.923596589
1.22	-0.922947368
1.23	-0.922219035
1.24	-0.921409913
1.25	-0.92051829
1.26	-0.919542447
1.27	-0.918480616
1.28	-0.917330986
1.29	-0.916091836
1.3	-0.914761296
1.31	-0.913337521
1.32	-0.911818639
1.33	-0.910202719
1.34	-0.908487781
1.35	-0.906671712
1.36	-0.904752253
1.37	-0.902726956
1.38	-0.900593141
1.39	-0.898347886
1.4	-0.895988165
1.41	-0.8935103
1.42	-0.890910875
1.43	-0.888186211
1.44	-0.885332574
1.45	-0.882346227
1.46	-0.879223469
1.47	-0.87596065
1.48	-0.872554175
1.49	-0.869000481
1.5	-0.865297203
1.51	-0.861438382
1.52	-0.85742171
1.53	-0.853243609
1.54	-0.848900444
1.55	-0.844388564
1.56	-0.839704291
1.57	-0.834856995
1.58	-0.829816573
1.59	-0.824593032
1.6	-0.819183061
1.61	-0.813583548
1.62	-0.807791637
1.63	-0.801804787
1.64	-0.795620838
1.65	-0.789238074
1.66	-0.782655281
1.67	-0.775872909
1.68	-0.768888665
1.69	-0.761704364
1.7	-0.754321597
1.71	-0.746742037
1.72	-0.738968809
1.73	-0.73100562
1.74	-0.722856982
1.75	-0.714528215
1.76	-0.706025424
1.77	-0.697355477
1.78	-0.688525962
1.79	-0.67954514
1.8	-0.67042189
1.81	-0.661165638
1.82	-0.651786292
1.83	-0.642294161
1.84	-0.632699879
1.85	-0.62301433
1.86	-0.613248577
1.87	-0.603413767
1.88	-0.593521073
1.89	-0.583581626
1.9	-0.573606446
1.91	-0.563606393
1.92	-0.553592406
1.93	-0.54357429
1.94	-0.533562422
1.95	-0.52356656
1.96	-0.513596108
1.97	-0.50366009
1.98	-0.49376714
1.99	-0.483925329
2	-0.474142781
2.01	-0.464426737
2.02	-0.454784179
2.03	-0.445222022
2.04	-0.435745739
2.05	-0.426361407
2.06	-0.417074371
2.07	-0.407889583
2.08	-0.398811604
2.09	-0.389844608
2.1	-0.380992396
2.11	-0.372258425
2.12	-0.363645833
2.13	-0.355157437
2.14	-0.346795731
2.15	-0.338562901
2.16	-0.330460841
2.17	-0.322491169
2.18	-0.314655241
2.19	-0.306954163
2.2	-0.299388803
2.21	-0.2919598
2.22	-0.284667581
2.23	-0.277512395
2.24	-0.270494192
2.25	-0.263612888
2.26	-0.256868133
2.27	-0.250259444
2.28	-0.243786183
2.29	-0.237447575
2.3	-0.231242714
2.31	-0.225170573
2.32	-0.219268262
2.33	-0.213457159
2.34	-0.207775075
2.35	-0.202220596
2.36	-0.196792231
2.37	-0.191488419
2.38	-0.18630755
2.39	-0.181247933
2.4	-0.176307803
2.41	-0.171485316
2.42	-0.166778582
2.43	-0.162185717
2.44	-0.157704846
2.45	-0.153334086
2.46	-0.149071521
2.47	-0.144915199
2.48	-0.14086315
2.49	-0.136913401
2.5	-0.133063983
2.51	-0.129312927
2.52	-0.125658263
2.53	-0.122098026
2.54	-0.11863026
2.55	-0.115253017
2.56	-0.111964368
2.57	-0.108762396
2.58	-0.105645205
2.59	-0.102610917
2.6	-0.099657676
2.61	-0.096783646
2.62	-0.093987012
2.63	-0.091265984
2.64	-0.088618792
2.65	-0.086043692
2.66	-0.083538966
2.67	-0.081102919
2.68	-0.078733887
2.69	-0.076430231
2.7	-0.074190342
2.71	-0.072012649
2.72	-0.069895566
2.73	-0.067837589
2.74	-0.065837223
2.75	-0.063893002
2.76	-0.062003489
2.77	-0.060167278
2.78	-0.058382991
2.79	-0.056649279
2.8	-0.05496482
2.81	-0.053328323
2.82	-0.051738523
2.83	-0.050194183
2.84	-0.048694094
2.85	-0.047237076
2.86	-0.045821973
2.87	-0.044447658
2.88	-0.043113028
2.89	-0.041817009
2.9	-0.040558553
2.91	-0.039336634
2.92	-0.038150253
2.93	-0.036998437
2.94	-0.035880233
2.95	-0.034794715
2.96	-0.033740979
2.97	-0.032718143
2.98	-0.031725347
2.99	-0.030761753
3	-0.029826546
3.01	-0.028918934
3.02	-0.028038122
3.03	-0.027183356
3.04	-0.026353927
3.05	-0.025549109
3.06	-0.024768199
3.07	-0.024010517
3.08	-0.023275401
3.09	-0.022562206
3.1	-0.021870307
3.11	-0.021199139
3.12	-0.020548014
3.13	-0.0199164
3.14	-0.019303736
3.15	-0.018709475
3.16	-0.018133083
3.17	-0.017574043
3.18	-0.017031852
3.19	-0.016506018
3.2	-0.015996065
3.21	-0.015501529
3.22	-0.01502196
3.23	-0.014556918
3.24	-0.014105979
3.25	-0.013668726
3.26	-0.013244758
3.27	-0.012833683
3.28	-0.01243512
3.29	-0.012048699
3.3	-0.011674062
3.31	-0.011310858
3.32	-0.01095875
3.33	-0.010617406
3.34	-0.010286505
3.35	-0.009965736
3.36	-0.009654794
3.37	-0.009353385
3.38	-0.009061223
3.39	-0.008778032
3.4	-0.008503541
3.41	-0.008237464
3.42	-0.007979456
3.43	-0.007729411
3.44	-0.007487214
3.45	-0.007252486
3.46	-0.007024984
3.47	-0.006804494
3.48	-0.006590807
3.49	-0.006383719
3.5	-0.00618303
3.51	-0.005988548
3.52	-0.005800084
3.53	-0.005617456
3.54	-0.005440486
3.55	-0.005269002
3.56	-0.005102836
3.57	-0.004941828
3.58	-0.004785819
3.59	-0.004634645
3.6	-0.004488182
3.61	-0.004346274
3.62	-0.004208782
3.63	-0.004075571
3.64	-0.003946508
3.65	-0.003821467
3.66	-0.003700325
3.67	-0.003582961
3.68	-0.003469261
3.69	-0.00335911
3.7	-0.003252401
3.71	-0.003149027
3.72	-0.003048885
3.73	-0.002951877
3.74	-0.002857905
3.75	-0.002766876
3.76	-0.002678699
3.77	-0.002593287
3.78	-0.002510553
3.79	-0.002430416
3.8	-0.002352795
3.81	-0.002277612
3.82	-0.002204792
3.83	-0.002134261
3.84	-0.00206595
3.85	-0.001999789
3.86	-0.001935711
3.87	-0.001873652
3.88	-0.00181355
3.89	-0.001755347
3.9	-0.00169898
3.91	-0.001644393
3.92	-0.001591532
3.93	-0.001540344
3.94	-0.001490777
3.95	-0.001442781
3.96	-0.001396309
3.97	-0.001351313
3.98	-0.001307749
3.99	-0.001265571
4	-0.00122474
end

Lx             2 5
name           "ac"
lambda         2 1
spin           0 0
factor         i
<x|LZ|y>       2i -i
units          angstrom
type           grid
values
0.6	0.900773037
0.61	0.902829382
0.62	0.904867362
0.63	0.906884041
0.64	0.908876751
0.65	0.910843076
0.66	0.912780821
0.67	0.914687984
0.68	0.916562723
0.69	0.918403327
0.7	0.920208205
0.71	0.921975884
0.72	0.923704979
0.73	0.925394187
0.74	0.9270423
0.75	0.928648235
0.76	0.930211023
0.77	0.931729815
0.78	0.933203955
0.79	0.934632697
0.8	0.936015733
0.81	0.937352686
0.82	0.938643306
0.83	0.939887437
0.84	0.941085
0.85	0.942235971
0.86	0.943340365
0.87	0.944398237
0.88	0.945409668
0.89	0.946370961
0.9	0.947289912
0.91	0.948162738
0.92	0.948989598
0.93	0.949770676
0.94	0.950506189
0.95	0.951196363
0.96	0.95184147
0.97	0.952441802
0.98	0.952997688
0.99	0.953509495
1	0.953977636
1.01	0.954402565
1.02	0.954784785
1.03	0.955124835
1.04	0.955424829
1.05	0.955682455
1.06	0.955899835
1.07	0.95607833
1.08	0.95621759
1.09	0.956318967
1.1	0.956383342
1.11	0.956419933
1.12	0.956414469
1.13	0.956375188
1.14	0.956303212
1.15	0.956199737
1.16	0.956065935
1.17	0.955903274
1.18	0.955713002
1.19	0.955496745
1.2	0.955255901
1.21	0.95499201
1.22	0.95470666
1.23	0.954400281
1.24	0.954076662
1.25	0.953736409
1.26	0.953381187
1.27	0.953014275
1.28	0.952634343
1.29	0.952244895
1.3	0.951848588
1.31	0.95144958
1.32	0.951055043
1.33	0.950676789
1.34	0.950329619
1.35	0.950045007
1.36	0.949767247
1.37	0.949497337
1.38	0.949222132
1.39	0.948942251
1.4	0.948664543
1.41	0.948396209
1.42	0.948142923
1.43	0.947908857
1.44	0.947697916
1.45	0.947510999
1.46	0.947350566
1.47	0.947218069
1.48	0.947114668
1.49	0.947041272
1.5	0.947002596
1.51	0.946991535
1.52	0.947011847
1.53	0.947063643
1.54	0.947146792
1.55	0.94726095
1.56	0.947405573
1.57	0.947579943
1.58	0.94778317
1.59	0.948014226
1.6	0.948271932
1.61	0.948554976
1.62	0.948861935
1.63	0.949191297
1.64	0.949541476
1.65	0.949910834
1.66	0.950297702
1.67	0.95070021
1.68	0.951117044
1.69	0.95154638
1.7	0.951986611
1.71	0.952436191
1.72	0.952893646
1.73	0.953357593
1.74	0.953826745
1.75	0.95429992
1.76	0.954776051
1.77	0.955254184
1.78	0.955733485
1.79	0.956213233
1.8	0.956692824
1.81	0.957171759
1.82	0.957649646
1.83	0.958126186
1.84	0.958601168
1.85	0.959074463
1.86	0.959546008
1.87	0.960015798
1.88	0.960483878
1.89	0.960950333
1.9	0.961415276
1.91	0.961878847
1.92	0.962341198
1.93	0.962802489
1.94	0.963262882
1.95	0.963722534
1.96	0.9641816
1.97	0.964640198
1.98	0.965098453
1.99	0.965556466
2	0.966014315
2.01	0.966472057
2.02	0.966929727
2.03	0.967387339
2.04	0.967844884
2.05	0.968302331
2.06	0.96875963
2.07	0.969216711
2.08	0.969673486
2.09	0.970129852
2.1	0.970585695
2.11	0.971040884
2.12	0.971495276
2.13	0.971948719
2.14	0.97240105
2.15	0.972852099
2.16	0.97330169
2.17	0.973749643
2.18	0.974195773
2.19	0.974639893
2.2	0.975081815
2.21	0.975521351
2.22	0.975958315
2.23	0.976392529
2.24	0.976823803
2.25	0.977251956
2.26	0.977676826
2.27	0.978098243
2.28	0.978516053
2.29	0.978930085
2.3	0.979340198
2.31	0.979746261
2.32	0.980148117
2.33	0.980545649
2.34	0.980938739
2.35	0.981327276
2.36	0.981711154
2.37	0.982090276
2.38	0.982464549
2.39	0.982833882
2.4	0.983198193
2.41	0.983557414
2.42	0.983911491
2.43	0.98426038
2.44	0.984604043
2.45	0.984942444
2.46	0.985275553
2.47	0.985603347
2.48	0.98592581
2.49	0.986242926
2.5	0.986554689
2.51	0.986861098
2.52	0.987162155
2.53	0.987457872
2.54	0.987748262
2.55	0.988033344
2.56	0.988309293
2.57	0.988583971
2.58	0.988853418
2.59	0.989117668
2.6	0.98937676
2.61	0.989630735
2.62	0.989879637
2.63	0.990123513
2.64	0.990362414
2.65	0.990596391
2.66	0.990825499
2.67	0.991049796
2.68	0.991269338
2.69	0.991484188
2.7	0.991694404
2.71	0.99190007
2.72	0.992101209
2.73	0.992297911
2.74	0.99249024
2.75	0.992678262
2.76	0.992862045
2.77	0.993041658
2.78	0.99321717
2.79	0.99338865
2.8	0.993556169
2.81	0.993719795
2.82	0.993879599
2.83	0.994035649
2.84	0.994188015
2.85	0.994336766
2.86	0.994481971
2.87	0.994623698
2.88	0.994762015
2.89	0.99489699
2.9	0.99502869
2.91	0.99515718
2.92	0.995282527
2.93	0.995404853
2.94	0.995524105
2.95	0.995640405
2.96	0.995753814
2.97	0.995864393
2.98	0.995972203
2.99	0.996077305
3	0.996179771
3.01	0.99627971
3.02	0.996377188
3.03	0.99647212
3.04	0.996564577
3.05	0.996654663
3.06	0.996742442
3.07	0.99682797
3.08	0.996911297
3.09	0.996992476
3.1	0.997071556
3.11	0.997148585
3.12	0.997223613
3.13	0.997296687
3.14	0.997367853
3.15	0.997437157
3.16	0.997504645
3.17	0.99757036
3.18	0.997634345
3.19	0.997696644
3.2	0.997757297
3.21	0.997816345
3.22	0.997873828
3.23	0.997929785
3.24	0.997984254
3.25	0.998037271
3.26	0.998088875
3.27	0.998139099
3.28	0.998187979
3.29	0.998235549
3.3	0.998281842
3.31	0.998326891
3.32	0.998370727
3.33	0.998413381
3.34	0.998454883
3.35	0.998495261
3.36	0.998534545
3.37	0.998572761
3.38	0.998609937
3.39	0.998646097
3.4	0.998681263
3.41	0.998715458
3.42	0.99874876
3.43	0.998781279
3.44	0.998812838
3.45	0.998843487
3.46	0.998873287
3.47	0.998902266
3.48	0.998930446
3.49	0.998957848
3.5	0.998984495
3.51	0.999010408
3.52	0.999035607
3.53	0.99906011
3.54	0.999083933
3.55	0.999107093
3.56	0.999129608
3.57	0.999151495
3.58	0.999172769
3.59	0.999193449
3.6	0.999213549
3.61	0.999233084
3.62	0.99925207
3.63	0.999270522
3.64	0.999288453
3.65	0.999305878
3.66	0.99932281
3.67	0.999339263
3.68	0.99935525
3.69	0.999370783
3.7	0.999385875
3.71	0.999400537
3.72	0.999414781
3.73	0.999428618
3.74	0.99944206
3.75	0.999455117
3.76	0.999467799
3.77	0.999480118
3.78	0.999492081
3.79	0.9995037
3.8	0.999514979
3.81	0.999525936
3.82	0.999536576
3.83	0.999546907
3.84	0.999556937
3.85	0.999566676
3.86	0.99957613
3.87	0.999585308
3.88	0.999594218
3.89	0.999602865
3.9	0.999611258
3.91	0.999619403
3.92	0.999627307
3.93	0.999634976
3.94	0.999642416
3.95	0.999649635
3.96	0.99965664
3.97	0.999663437
3.98	0.999670033
3.99	0.999676435
4	0.999682647
end

Lx             4 5
name           "bc"
lambda         0 1
spin           0 0
factor         i
<x|LZ|y>       0 -i
units          angstrom
type           grid
values
0.6	1.085505618
0.61	1.087276092
0.62	1.088994416
0.63	1.090658542
0.64	1.09226655
0.65	1.093816634
0.66	1.095307101
0.67	1.096736343
0.68	1.098102829
0.69	1.099405109
0.7	1.100641811
0.71	1.101811642
0.72	1.102913384
0.73	1.103945886
0.74	1.104908093
0.75	1.105799044
0.76	1.106617807
0.77	1.107363537
0.78	1.10803548
0.79	1.108632837
0.8	1.109154972
0.81	1.109601182
0.82	1.109973124
0.83	1.110265348
0.84	1.110479417
0.85	1.110614568
0.86	1.110669698
0.87	1.110644035
0.88	1.110536597
0.89	1.110346397
0.9	1.110072389
0.91	1.109713519
0.92	1.10926871
0.93	1.108736869
0.94	1.10811689
0.95	1.107407651
0.96	1.106608007
0.97	1.105716804
0.98	1.10473285
0.99	1.103654917
1	1.102481739
1.01	1.101212002
1.02	1.099844334
1.03	1.098377296
1.04	1.096808896
1.05	1.09513856
1.06	1.093364198
1.07	1.091483551
1.08	1.089495901
1.09	1.087398928
1.1	1.085177027
1.11	1.082853879
1.12	1.080415226
1.13	1.077859081
1.14	1.075185468
1.15	1.072388357
1.16	1.06946727
1.17	1.066419941
1.18	1.063244059
1.19	1.059937278
1.2	1.056497222
1.21	1.052921496
1.22	1.049207685
1.23	1.045353391
1.24	1.041356248
1.25	1.037213941
1.26	1.032924216
1.27	1.028484897
1.28	1.02389386
1.29	1.019148856
1.3	1.014247053
1.31	1.009183865
1.32	1.003950641
1.33	0.998531549
1.34	0.992904433
1.35	0.987000054
1.36	0.980931541
1.37	0.97467646
1.38	0.968256368
1.39	0.961674826
1.4	0.954925654
1.41	0.948000954
1.42	0.94089427
1.43	0.933600406
1.44	0.926135627
1.45	0.918461678
1.46	0.910594926
1.47	0.902534957
1.48	0.894281959
1.49	0.885836672
1.5	0.877189283
1.51	0.868362343
1.52	0.859348572
1.53	0.850150782
1.54	0.840772464
1.55	0.831217756
1.56	0.821491284
1.57	0.811598158
1.58	0.801544118
1.59	0.791335593
1.6	0.780979671
1.61	0.770464203
1.62	0.759836429
1.63	0.749085957
1.64	0.738222112
1.65	0.72725469
1.66	0.716194008
1.67	0.705050853
1.68	0.693836053
1.69	0.682561065
1.7	0.6712376
1.71	0.65987745
1.72	0.648492567
1.73	0.637094958
1.74	0.625696617
1.75	0.614309446
1.76	0.602945194
1.77	0.591615383
1.78	0.580331244
1.79	0.569103656
1.8	0.557943094
1.81	0.546859571
1.82	0.535862601
1.83	0.52496116
1.84	0.514163652
1.85	0.503477885
1.86	0.49291106
1.87	0.482469786
1.88	0.472160057
1.89	0.461987231
1.9	0.451956092
1.91	0.442070831
1.92	0.432335075
1.93	0.422751902
1.94	0.413323877
1.95	0.404053041
1.96	0.394941077
1.97	0.385989143
1.98	0.377198034
1.99	0.368568173
2	0.360099645
2.01	0.351792242
2.02	0.34367782
2.03	0.335690817
2.04	0.327862711
2.05	0.320192331
2.06	0.312678325
2.07	0.305319183
2.08	0.298113244
2.09	0.291058702
2.1	0.28415362
2.11	0.277395989
2.12	0.270783744
2.13	0.264314748
2.14	0.25798679
2.15	0.25179761
2.16	0.245744915
2.17	0.239826385
2.18	0.234039689
2.19	0.228382486
2.2	0.222852433
2.21	0.217447195
2.22	0.212164454
2.23	0.207001875
2.24	0.201957092
2.25	0.197028027
2.26	0.19221229
2.27	0.187507638
2.28	0.18291187
2.29	0.178422801
2.3	0.174038267
2.31	0.169756133
2.32	0.165574289
2.33	0.161490658
2.34	0.157503271
2.35	0.153609961
2.36	0.14980881
2.37	0.146097867
2.38	0.142475212
2.39	0.138938957
2.4	0.135487246
2.41	0.132118247
2.42	0.128830164
2.43	0.12562124
2.44	0.122489769
2.45	0.119434073
2.46	0.116452492
2.47	0.113543363
2.48	0.110705056
2.49	0.107935994
2.5	0.105234649
2.51	0.10259952
2.52	0.099978195
2.53	0.097471742
2.54	0.095027128
2.55	0.092642942
2.56	0.0903178
2.57	0.088324322
2.58	0.08611271
2.59	0.083956147
2.6	0.081853369
2.61	0.079803135
2.62	0.077804234
2.63	0.075855478
2.64	0.073955707
2.65	0.072103778
2.66	0.070298574
2.67	0.068539
2.68	0.066823979
2.69	0.065152458
2.7	0.063523441
2.71	0.061935902
2.72	0.060388816
2.73	0.058881243
2.74	0.057412241
2.75	0.055980886
2.76	0.054586276
2.77	0.053227379
2.78	0.051903629
2.79	0.050614031
2.8	0.049357758
2.81	0.048134003
2.82	0.046941975
2.83	0.045780901
2.84	0.044650029
2.85	0.043548611
2.86	0.042475926
2.87	0.041431265
2.88	0.040413931
2.89	0.039423242
2.9	0.038458532
2.91	0.037519145
2.92	0.036604443
2.93	0.035713911
2.94	0.034846708
2.95	0.034002345
2.96	0.033180222
2.97	0.032379745
2.98	0.031600323
2.99	0.030841435
3	0.030103018
3.01	0.029386659
3.02	0.028691638
3.03	0.028012464
3.04	0.027349978
3.05	0.026704936
3.06	0.026077164
3.07	0.025466263
3.08	0.024871795
3.09	0.024293326
3.1	0.023730432
3.11	0.023182702
3.12	0.022649739
3.13	0.022131153
3.14	0.021626567
3.15	0.021135614
3.16	0.020657935
3.17	0.020193182
3.18	0.019741015
3.19	0.019301101
3.2	0.018873117
3.21	0.018456749
3.22	0.018051688
3.23	0.017657635
3.24	0.017274298
3.25	0.016901392
3.26	0.01653864
3.27	0.016199069
3.28	0.015855651
3.29	0.015521601
3.3	0.015196674
3.31	0.014880627
3.32	0.01457323
3.33	0.014274257
3.34	0.01398351
3.35	0.01370074
3.36	0.013425764
3.37	0.013158384
3.38	0.012898408
3.39	0.012645649
3.4	0.012399923
3.41	0.012160987
3.42	0.011928329
3.43	0.01170203
3.44	0.011482534
3.45	0.011269232
3.46	0.011061854
3.47	0.010860237
3.48	0.010664226
3.49	0.010473669
3.5	0.010288417
3.51	0.010108322
3.52	0.009933245
3.53	0.009763046
3.54	0.009597592
3.55	0.009432262
3.56	0.00927601
3.57	0.009124122
3.58	0.008976478
3.59	0.008832962
3.6	0.008693462
3.61	0.008557867
3.62	0.008426072
3.63	0.008297973
3.64	0.008173468
3.65	0.008052459
3.66	0.007935132
3.67	0.007820827
3.68	0.00770974
3.69	0.00760178
3.7	0.007496864
3.71	0.007394907
3.72	0.007295828
3.73	0.007199548
3.74	0.007105989
3.75	0.007015077
3.76	0.006926739
3.77	0.006840902
3.78	0.006757499
3.79	0.006676514
3.8	0.006597776
3.81	0.006521275
3.82	0.006446947
3.83	0.006374734
3.84	0.006304575
3.85	0.006236414
3.86	0.006170196
3.87	0.006105866
3.88	0.006043386
3.89	0.005982676
3.9	0.005923701
3.91	0.005866413
3.92	0.00581077
3.93	0.005756718
3.94	0.005704218
3.95	0.005653228
3.96	0.005603708
3.97	0.005555619
3.98	0.005508924
3.99	0.005463589
4	0.005419577
end

(################################################################### INTENSITY SPECTROSCOPIC MODEL)

dipole-x       1 1
name           "XX"
spin           1 1
lambda         0 0
<x|LZ|y>       0 0
units          angstrom ea0
type           grid
values
0.6	0.639863578
0.61	0.640875281
0.62	0.641784442
0.63	0.642594925
0.64	0.643310178
0.65	0.643933284
0.66	0.644467024
0.67	0.644913928
0.68	0.645276263
0.69	0.645555972
0.7	0.645754655
0.71	0.645873582
0.72	0.645913949
0.73	0.645876896
0.74	0.645763248
0.75	0.645573488
0.76	0.645308099
0.77	0.644967234
0.78	0.644550738
0.79	0.644058751
0.8	0.643490383
0.81	0.642843629
0.82	0.642121075
0.83	0.641319713
0.84	0.640438296
0.85	0.639475502
0.86	0.638429976
0.87	0.637300435
0.88	0.636085781
0.89	0.634784744
0.9	0.633396094
0.91	0.631918732
0.92	0.63035161
0.93	0.628693788
0.94	0.62694436
0.95	0.625102447
0.96	0.623167206
0.97	0.621137828
0.98	0.619013535
0.99	0.616793587
1	0.614477282
1.01	0.612063964
1.02	0.609553026
1.03	0.606943897
1.04	0.604236026
1.05	0.601429021
1.06	0.598522442
1.07	0.595515972
1.08	0.592410003
1.09	0.589202993
1.1	0.585895438
1.11	0.58248728
1.12	0.578978535
1.13	0.575369264
1.14	0.571659616
1.15	0.567849863
1.16	0.563940394
1.17	0.559931612
1.18	0.555815475
1.19	0.55161043
1.2	0.547308221
1.21	0.542909721
1.22	0.538415901
1.23	0.533827747
1.24	0.529146481
1.25	0.524373514
1.26	0.519510331
1.27	0.514558499
1.28	0.509519695
1.29	0.504395711
1.3	0.499188471
1.31	0.493900048
1.32	0.488532674
1.33	0.483088748
1.34	0.477570828
1.35	0.471981617
1.36	0.466323955
1.37	0.4606008
1.38	0.454815215
1.39	0.448970361
1.4	0.443069494
1.41	0.437115914
1.42	0.431112953
1.43	0.425063963
1.44	0.418972308
1.45	0.412841371
1.46	0.406674552
1.47	0.400475282
1.48	0.394247033
1.49	0.38799327
1.5	0.381744338
1.51	0.375449483
1.52	0.369139743
1.53	0.362818687
1.54	0.356489766
1.55	0.350156176
1.56	0.343820965
1.57	0.337487732
1.58	0.331160558
1.59	0.324843217
1.6	0.318539193
1.61	0.312251812
1.62	0.30598434
1.63	0.299740021
1.64	0.293522085
1.65	0.287333732
1.66	0.281178119
1.67	0.275067198
1.68	0.268986573
1.69	0.262947967
1.7	0.25695749
1.71	0.251012048
1.72	0.245117449
1.73	0.239276524
1.74	0.233492043
1.75	0.227766715
1.76	0.222103182
1.77	0.216504015
1.78	0.210971711
1.79	0.205508683
1.8	0.200117261
1.81	0.194799681
1.82	0.189558081
1.83	0.184394492
1.84	0.179310833
1.85	0.174308895
1.86	0.169390365
1.87	0.164556792
1.88	0.15980958
1.89	0.155150006
1.9	0.150579209
1.91	0.14609818
1.92	0.141707768
1.93	0.137408671
1.94	0.133201446
1.95	0.129086507
1.96	0.125064126
1.97	0.121134437
1.98	0.117297438
1.99	0.11355051
2	0.109898355
2.01	0.106338088
2.02	0.102869194
2.03	0.099481436
2.04	0.096193298
2.05	0.092994337
2.06	0.089883614
2.07	0.086860095
2.08	0.083922652
2.09	0.081070068
2.1	0.078301044
2.11	0.075614214
2.12	0.073008175
2.13	0.070481484
2.14	0.068032653
2.15	0.065660148
2.16	0.063362402
2.17	0.061137823
2.18	0.058984794
2.19	0.056901684
2.2	0.054886842
2.21	0.052938602
2.22	0.051055289
2.23	0.049235189
2.24	0.047476716
2.25	0.045778087
2.26	0.044137678
2.27	0.042553853
2.28	0.041024978
2.29	0.039549439
2.3	0.038125646
2.31	0.03675203
2.32	0.035427045
2.33	0.034149169
2.34	0.032916904
2.35	0.031728774
2.36	0.030583326
2.37	0.029479196
2.38	0.028414833
2.39	0.027388934
2.4	0.026400193
2.41	0.025447387
2.42	0.024529349
2.43	0.023644923
2.44	0.022792966
2.45	0.021972374
2.46	0.02118208
2.47	0.020421004
2.48	0.019688054
2.49	0.018982165
2.5	0.018302327
2.51	0.017647591
2.52	0.017017049
2.53	0.016409825
2.54	0.015825066
2.55	0.015261947
2.56	0.014719664
2.57	0.014197442
2.58	0.013694535
2.59	0.013210221
2.6	0.012743809
2.61	0.012294633
2.62	0.011862052
2.63	0.011445451
2.64	0.011044238
2.65	0.010657839
2.66	0.010285702
2.67	0.009927292
2.68	0.00958209
2.69	0.009249592
2.7	0.00892933
2.71	0.008620881
2.72	0.008323734
2.73	0.008037472
2.74	0.007761687
2.75	0.007495984
2.76	0.007239985
2.77	0.006993324
2.78	0.006755653
2.79	0.006526636
2.8	0.006305951
2.81	0.006093292
2.82	0.00588836
2.83	0.00569087
2.84	0.00550054
2.85	0.005317098
2.86	0.00514027
2.87	0.004969787
2.88	0.004805388
2.89	0.004646829
2.9	0.004493884
2.91	0.00434635
2.92	0.004204033
2.93	0.004066745
2.94	0.00393431
2.95	0.003806562
2.96	0.003683355
2.97	0.003564558
2.98	0.003450059
2.99	0.003339787
3	0.00323375
3.01	0.00313174
3.02	0.003032031
3.03	0.002935032
3.04	0.002842173
3.05	0.002752973
3.06	0.002667017
3.07	0.002584091
3.08	0.002504053
3.09	0.00242678
3.1	0.00235216
3.11	0.002280088
3.12	0.002210466
3.13	0.002143198
3.14	0.002078198
3.15	0.002015383
3.16	0.001954676
3.17	0.001896004
3.18	0.0018393
3.19	0.001784498
3.2	0.001731533
3.21	0.001680343
3.22	0.001630868
3.23	0.001583048
3.24	0.001536825
3.25	0.001492142
3.26	0.001448945
3.27	0.00140718
3.28	0.001366796
3.29	0.001327743
3.3	0.001289972
3.31	0.001253437
3.32	0.001218093
3.33	0.001183896
3.34	0.001150803
3.35	0.001118774
3.36	0.001087769
3.37	0.001057751
3.38	0.001028682
3.39	0.001000528
3.4	0.000973253
3.41	0.000946826
3.42	0.000921274
3.43	0.000896672
3.44	0.000872752
3.45	0.00084953
3.46	0.000827031
3.47	0.000805239
3.48	0.00078413
3.49	0.00076368
3.5	0.000743867
3.51	0.000724668
3.52	0.00070606
3.53	0.00068802
3.54	0.00067053
3.55	0.000653567
3.56	0.000637112
3.57	0.000621146
3.58	0.00060565
3.59	0.000590029
3.6	0.000575406
3.61	0.000561211
3.62	0.000547429
3.63	0.000534047
3.64	0.00052105
3.65	0.000508426
3.66	0.000496161
3.67	0.000484242
3.68	0.000472659
3.69	0.0004614
3.7	0.000450454
3.71	0.000439811
3.72	0.000429461
3.73	0.000419395
3.74	0.000409603
3.75	0.000400078
3.76	0.000390809
3.77	0.000381791
3.78	0.000373014
3.79	0.000364472
3.8	0.000356157
3.81	0.000348063
3.82	0.000340183
3.83	0.00033251
3.84	0.000325039
3.85	0.000317764
3.86	0.00031068
3.87	0.000303782
3.88	0.000297065
3.89	0.000290525
3.9	0.000284158
3.91	0.000277958
3.92	0.000271921
3.93	0.00026604
3.94	0.000260303
3.95	0.000254697
3.96	0.000249203
3.97	0.000243801
3.98	0.000238471
3.99	0.000233203
4	0.000228004
end

dipole-x       2 2
name           "aa"
spin           0 0
lambda         2 2
<x|LZ|y>       2i 2i
units          angstrom ea0
type           grid
values
0.6	0.618889274
0.61	0.619953688
0.62	0.620926389
0.63	0.621811235
0.64	0.622611689
0.65	0.623330857
0.66	0.623971527
0.67	0.624536186
0.68	0.625027043
0.69	0.625446049
0.7	0.625794895
0.71	0.62607501
0.72	0.626287623
0.73	0.626433773
0.74	0.626514287
0.75	0.626529736
0.76	0.626480489
0.77	0.626366673
0.78	0.626188113
0.79	0.625944611
0.8	0.625635443
0.81	0.625259865
0.82	0.6248343
0.83	0.624326084
0.84	0.623748104
0.85	0.623098937
0.86	0.62237784
0.87	0.621583444
0.88	0.620714628
0.89	0.619770295
0.9	0.61874947
0.91	0.617651214
0.92	0.616474662
0.93	0.615218965
0.94	0.613883307
0.95	0.612466892
0.96	0.610968963
0.97	0.609388828
0.98	0.607725836
0.99	0.605979356
1	0.604148782
1.01	0.602233544
1.02	0.600233114
1.03	0.598147024
1.04	0.595974847
1.05	0.593716201
1.06	0.591370773
1.07	0.588938313
1.08	0.586418634
1.09	0.583811597
1.1	0.581117115
1.11	0.578335451
1.12	0.575466317
1.13	0.572510012
1.14	0.569417309
1.15	0.566287375
1.16	0.563071247
1.17	0.559769439
1.18	0.556382571
1.19	0.552911355
1.2	0.5493566
1.21	0.545719199
1.22	0.542000108
1.23	0.538200385
1.24	0.534321234
1.25	0.53036394
1.26	0.526329877
1.27	0.522220515
1.28	0.518037427
1.29	0.513782288
1.3	0.509456873
1.31	0.505063051
1.32	0.500602786
1.33	0.496078126
1.34	0.491491208
1.35	0.486844249
1.36	0.482139539
1.37	0.477379442
1.38	0.472566387
1.39	0.467702863
1.4	0.462791418
1.41	0.457834669
1.42	0.452835196
1.43	0.447795687
1.44	0.442718552
1.45	0.437607041
1.46	0.432463618
1.47	0.427291012
1.48	0.42209195
1.49	0.416869157
1.5	0.411626872
1.51	0.406364689
1.52	0.401086863
1.53	0.39579604
1.54	0.390494841
1.55	0.385185817
1.56	0.379871485
1.57	0.374554267
1.58	0.369236543
1.59	0.363920709
1.6	0.358609103
1.61	0.353260022
1.62	0.347963611
1.63	0.342678094
1.64	0.337405554
1.65	0.332148016
1.66	0.326907446
1.67	0.32168622
1.68	0.316485282
1.69	0.311306866
1.7	0.306152711
1.71	0.301024515
1.72	0.295923922
1.73	0.290852532
1.74	0.2858119
1.75	0.280803537
1.76	0.275828915
1.77	0.270889465
1.78	0.265986581
1.79	0.261121616
1.8	0.25629589
1.81	0.251510682
1.82	0.246767234
1.83	0.242066749
1.84	0.237410394
1.85	0.232799289
1.86	0.228234515
1.87	0.223717113
1.88	0.219248078
1.89	0.214828349
1.9	0.210458824
1.91	0.206140351
1.92	0.201873725
1.93	0.19765969
1.94	0.193498939
1.95	0.189392111
1.96	0.185339794
1.97	0.181342521
1.98	0.17740077
1.99	0.17351497
2	0.169685495
2.01	0.165912672
2.02	0.162218415
2.03	0.158559076
2.04	0.15495707
2.05	0.151412525
2.06	0.147925524
2.07	0.144496106
2.08	0.141124267
2.09	0.137809959
2.1	0.134553088
2.11	0.131353523
2.12	0.128211097
2.13	0.125125608
2.14	0.122096822
2.15	0.119124467
2.16	0.116208238
2.17	0.113347798
2.18	0.110542778
2.19	0.107792781
2.2	0.105097381
2.21	0.102456127
2.22	0.099868545
2.23	0.097334121
2.24	0.094852374
2.25	0.092422736
2.26	0.09004465
2.27	0.087717541
2.28	0.085440815
2.29	0.083213863
2.3	0.08103606
2.31	0.078906766
2.32	0.07682533
2.33	0.074791088
2.34	0.072803367
2.35	0.070861484
2.36	0.068964746
2.37	0.067112455
2.38	0.065303903
2.39	0.063538383
2.4	0.061815183
2.41	0.060133594
2.42	0.058492902
2.43	0.056892388
2.44	0.055331326
2.45	0.053808994
2.46	0.052324667
2.47	0.050877625
2.48	0.049467147
2.49	0.048092519
2.5	0.046753028
2.51	0.045447968
2.52	0.044176013
2.53	0.042937728
2.54	0.041731777
2.55	0.040557473
2.56	0.039414135
2.57	0.038301085
2.58	0.037217656
2.59	0.036163184
2.6	0.035137014
2.61	0.034138501
2.62	0.033167005
2.63	0.032221899
2.64	0.03130256
2.65	0.03040838
2.66	0.029538756
2.67	0.028693096
2.68	0.027870818
2.69	0.027071349
2.7	0.026294129
2.71	0.025538608
2.72	0.024804235
2.73	0.02409048
2.74	0.023396821
2.75	0.022722744
2.76	0.022067746
2.77	0.021431384
2.78	0.020813074
2.79	0.020212392
2.8	0.019628874
2.81	0.019062066
2.82	0.018511522
2.83	0.017976809
2.84	0.0174575
2.85	0.01695318
2.86	0.016463442
2.87	0.015987888
2.88	0.015526132
2.89	0.015077794
2.9	0.014642504
2.91	0.014219901
2.92	0.013809633
2.93	0.013411356
2.94	0.013024734
2.95	0.012649441
2.96	0.012285157
2.97	0.011931569
2.98	0.011588373
2.99	0.011255264
3	0.010931933
3.01	0.010618062
3.02	0.010313483
3.03	0.010018026
3.04	0.009731314
3.05	0.009453061
3.06	0.009183029
3.07	0.008920985
3.08	0.008666699
3.09	0.008419947
3.1	0.00818051
3.11	0.007948173
3.12	0.00772273
3.13	0.007503979
3.14	0.007291722
3.15	0.007085768
3.16	0.006885931
3.17	0.00669203
3.18	0.00650389
3.19	0.00632134
3.2	0.006144213
3.21	0.005972349
3.22	0.005805591
3.23	0.005643786
3.24	0.005486786
3.25	0.005334449
3.26	0.005186634
3.27	0.005050365
3.28	0.004910966
3.29	0.004775697
3.3	0.004644433
3.31	0.004517055
3.32	0.004393445
3.33	0.00427349
3.34	0.00415708
3.35	0.004044108
3.36	0.003934471
3.37	0.003828069
3.38	0.003724805
3.39	0.003624587
3.4	0.003527324
3.41	0.003432934
3.42	0.003341314
3.43	0.003252313
3.44	0.003165953
3.45	0.003082142
3.46	0.003000785
3.47	0.002921806
3.48	0.002845131
3.49	0.00277069
3.5	0.002698415
3.51	0.00262824
3.52	0.002560101
3.53	0.002493936
3.54	0.002429686
3.55	0.002369895
3.56	0.002309275
3.57	0.0022504
3.58	0.002193217
3.59	0.002137674
3.6	0.002083722
3.61	0.002031313
3.62	0.0019804
3.63	0.001930938
3.64	0.001882883
3.65	0.001836192
3.66	0.001790825
3.67	0.001746741
3.68	0.001703903
3.69	0.001662271
3.7	0.00162181
3.71	0.001582486
3.72	0.001544262
3.73	0.001507108
3.74	0.00147099
3.75	0.001435877
3.76	0.001401739
3.77	0.001368548
3.78	0.001336275
3.79	0.001304891
3.8	0.001274372
3.81	0.001244692
3.82	0.001215825
3.83	0.001187747
3.84	0.001160435
3.85	0.001133867
3.86	0.001108021
3.87	0.001082875
3.88	0.00105858
3.89	0.001034776
3.9	0.001011614
3.91	0.000989075
3.92	0.000967139
3.93	0.000945791
3.94	0.000925013
3.95	0.000904787
3.96	0.000885099
3.97	0.000865933
3.98	0.000847273
3.99	0.000829106
4	0.000811416
end

dipole-x       3 3
name           "AA"
spin           1 1
lambda         1 1
<x|LZ|y>      -i -i
units          angstrom ea0
type           grid
values
0.6	0.128811138
0.61	0.135178355
0.62	0.141643727
0.63	0.148210024
0.64	0.154879586
0.65	0.161654326
0.66	0.168535735
0.67	0.175524906
0.68	0.182622543
0.69	0.189828949
0.7	0.197144049
0.71	0.204567401
0.72	0.212098242
0.73	0.219735489
0.74	0.22747776
0.75	0.235323393
0.76	0.243275227
0.77	0.2513195
0.78	0.259461266
0.79	0.267697816
0.8	0.276027253
0.81	0.284446938
0.82	0.292954236
0.83	0.301546375
0.84	0.310220401
0.85	0.318973144
0.86	0.327801205
0.87	0.336699829
0.88	0.345667749
0.89	0.35469915
0.9	0.363789424
0.91	0.372933732
0.92	0.382126845
0.93	0.391363288
0.94	0.400637236
0.95	0.409942575
0.96	0.419272882
0.97	0.428621452
0.98	0.437981314
0.99	0.447345205
1	0.456698664
1.01	0.466047778
1.02	0.475377367
1.03	0.484679056
1.04	0.493944299
1.05	0.503163738
1.06	0.512330296
1.07	0.52143511
1.08	0.530470801
1.09	0.53942713
1.1	0.548292145
1.11	0.557050173
1.12	0.565687468
1.13	0.574194186
1.14	0.582560927
1.15	0.590776936
1.16	0.59883061
1.17	0.606710021
1.18	0.614403036
1.19	0.621897318
1.2	0.629180327
1.21	0.636239326
1.22	0.643061366
1.23	0.649633317
1.24	0.655941917
1.25	0.661973762
1.26	0.667715429
1.27	0.673153378
1.28	0.678277757
1.29	0.683068099
1.3	0.687514279
1.31	0.69160296
1.32	0.695320936
1.33	0.698655193
1.34	0.701592778
1.35	0.704121036
1.36	0.706227486
1.37	0.707899876
1.38	0.709126228
1.39	0.709894907
1.4	0.710194022
1.41	0.710014335
1.42	0.709345254
1.43	0.70817773
1.44	0.706503705
1.45	0.704316207
1.46	0.701609424
1.47	0.698378733
1.48	0.694620722
1.49	0.690333199
1.5	0.685517142
1.51	0.68016891
1.52	0.674292517
1.53	0.667890671
1.54	0.660967951
1.55	0.653530655
1.56	0.645586366
1.57	0.637058557
1.58	0.628122011
1.59	0.618710877
1.6	0.608839938
1.61	0.598525924
1.62	0.587787522
1.63	0.576645373
1.64	0.56512205
1.65	0.553242023
1.66	0.541031585
1.67	0.528518747
1.68	0.515733136
1.69	0.502705821
1.7	0.489469083
1.71	0.476056306
1.72	0.462501666
1.73	0.448839899
1.74	0.435106025
1.75	0.421335068
1.76	0.407561762
1.77	0.393820267
1.78	0.38014388
1.79	0.366564772
1.8	0.353113727
1.81	0.339819918
1.82	0.326710701
1.83	0.313811449
1.84	0.301145407
1.85	0.288733592
1.86	0.276594766
1.87	0.264745354
1.88	0.253199459
1.89	0.241968914
1.9	0.231063334
1.91	0.220490198
1.92	0.210257307
1.93	0.200363519
1.94	0.190812905
1.95	0.181605578
1.96	0.172740161
1.97	0.164213926
1.98	0.156022948
1.99	0.148162243
2	0.140625908
2.01	0.133407254
2.02	0.126498928
2.03	0.119893025
2.04	0.113581201
2.05	0.107554763
2.06	0.101804766
2.07	0.096322082
2.08	0.091097475
2.09	0.086121655
2.1	0.081385338
2.11	0.076879298
2.12	0.072594417
2.13	0.068521707
2.14	0.064652338
2.15	0.060977673
2.16	0.057489284
2.17	0.05417897
2.18	0.051038769
2.19	0.048060966
2.2	0.0452381
2.21	0.04256297
2.22	0.040028633
2.23	0.037628398
2.24	0.035355834
2.25	0.033204817
2.26	0.031169393
2.27	0.029243884
2.28	0.027422859
2.29	0.02570112
2.3	0.024073697
2.31	0.022535839
2.32	0.021137105
2.33	0.019763322
2.34	0.018466147
2.35	0.017241645
2.36	0.016086065
2.37	0.014995833
2.38	0.013967542
2.39	0.012997948
2.4	0.012083963
2.41	0.011222659
2.42	0.010411261
2.43	0.009647137
2.44	0.008927781
2.45	0.008250802
2.46	0.00761392
2.47	0.007014966
2.48	0.00645189
2.49	0.005922754
2.5	0.005425726
2.51	0.004959062
2.52	0.004521109
2.53	0.004110297
2.54	0.003725138
2.55	0.003364223
2.56	0.003026215
2.57	0.002709851
2.58	0.002413929
2.59	0.002137314
2.6	0.001878925
2.61	0.001637738
2.62	0.001412778
2.63	0.001203123
2.64	0.001007895
2.65	0.000826264
2.66	0.000657443
2.67	0.000500688
2.68	0.000355293
2.69	0.000220594
2.7	9.59581E-05
2.71	-1.86327E-05
2.72	-0.000124899
2.73	-0.000222788
2.74	-0.000312804
2.75	-0.000395422
2.76	-0.000471089
2.77	-0.00054023
2.78	-0.000603246
2.79	-0.000660514
2.8	-0.000712391
2.81	-0.000759216
2.82	-0.000801306
2.83	-0.000838963
2.84	-0.00087247
2.85	-0.000902099
2.86	-0.000928102
2.87	-0.00095072
2.88	-0.000970181
2.89	-0.000986699
2.9	-0.001000477
2.91	-0.001011706
2.92	-0.001020566
2.93	-0.001027228
2.94	-0.001031853
2.95	-0.001034594
2.96	-0.001035598
2.97	-0.00103501
2.98	-0.001032978
2.99	-0.001029669
3	-0.001025267
3.01	-0.001019725
3.02	-0.001012521
3.03	-0.001004049
3.04	-0.000994839
3.05	-0.000984974
3.06	-0.000974459
3.07	-0.000963326
3.08	-0.000951621
3.09	-0.000939397
3.1	-0.000926709
3.11	-0.000913826
3.12	-0.000900358
3.13	-0.000886574
3.14	-0.000872517
3.15	-0.000858229
3.16	-0.000843747
3.17	-0.000829109
3.18	-0.000814347
3.19	-0.000799492
3.2	-0.000784573
3.21	-0.000769617
3.22	-0.000754648
3.23	-0.00073969
3.24	-0.000724762
3.25	-0.000709885
3.26	-0.000695076
3.27	-0.000680351
3.28	-0.000665725
3.29	-0.000651212
3.3	-0.000636822
3.31	-0.000622569
3.32	-0.00060846
3.33	-0.000594506
3.34	-0.000580715
3.35	-0.000567095
3.36	-0.000553652
3.37	-0.000540395
3.38	-0.00052733
3.39	-0.000514464
3.4	-0.000501799
3.41	-0.000489335
3.42	-0.00047707
3.43	-0.000465053
3.44	-0.000453274
3.45	-0.000441708
3.46	-0.00043036
3.47	-0.000419234
3.48	-0.000408329
3.49	-0.000397647
3.5	-0.000387185
3.51	-0.000376943
3.52	-0.000366918
3.53	-0.000357112
3.54	-0.000347515
3.55	-0.000338129
3.56	-0.000328951
3.57	-0.000319979
3.58	-0.00031121
3.59	-0.000302641
3.6	-0.000294269
3.61	-0.000286092
3.62	-0.000278106
3.63	-0.000270308
3.64	-0.000262696
3.65	-0.000255265
3.66	-0.000248014
3.67	-0.000240938
3.68	-0.000234035
3.69	-0.000227301
3.7	-0.000220734
3.71	-0.00021433
3.72	-0.000208086
3.73	-0.000201998
3.74	-0.000196064
3.75	-0.000190281
3.76	-0.000184645
3.77	-0.000179154
3.78	-0.000173803
3.79	-0.000168591
3.8	-0.000163514
3.81	-0.000158569
3.82	-0.000153754
3.83	-0.000149065
3.84	-0.0001445
3.85	-0.000140055
3.86	-0.000135729
3.87	-0.000131518
3.88	-0.000127419
3.89	-0.000123435
3.9	-0.000119556
3.91	-0.000115782
3.92	-0.00011211
3.93	-0.000108537
3.94	-0.000105062
3.95	-0.000101682
3.96	-9.83948E-05
3.97	-9.51983E-05
3.98	-9.20904E-05
3.99	-8.90693E-05
4	-8.61331E-05
end

dipole-x       4 4 
name           "bb"
spin           0 0
lambda         0 0
<x|LZ|y>       0 0
units          angstrom ea0
type           grid
values
0.6	0.567206139
0.61	0.568553081
0.62	0.569821727
0.63	0.571015274
0.64	0.572136587
0.65	0.57318823
0.66	0.574172492
0.67	0.575091411
0.68	0.575946778
0.69	0.57674016
0.7	0.577472915
0.71	0.578146205
0.72	0.578761004
0.73	0.579318096
0.74	0.579818136
0.75	0.580261576
0.76	0.580648681
0.77	0.580979565
0.78	0.581254129
0.79	0.581472145
0.8	0.581633163
0.81	0.581736593
0.82	0.581780723
0.83	0.581766245
0.84	0.581691608
0.85	0.581576145
0.86	0.581378326
0.87	0.581117088
0.88	0.580791434
0.89	0.580400284
0.9	0.579942615
0.91	0.579417475
0.92	0.578823936
0.93	0.578161079
0.94	0.577428017
0.95	0.57662387
0.96	0.575747776
0.97	0.574798911
0.98	0.573776484
0.99	0.572679713
1	0.571507829
1.01	0.570260088
1.02	0.56893575
1.03	0.567534113
1.04	0.56605459
1.05	0.564496556
1.06	0.562859431
1.07	0.561142705
1.08	0.559345909
1.09	0.557468615
1.1	0.555510423
1.11	0.553473212
1.12	0.55135209
1.13	0.549149167
1.14	0.546850861
1.15	0.544483211
1.16	0.542033476
1.17	0.53950171
1.18	0.536888041
1.19	0.534192665
1.2	0.531415857
1.21	0.528558001
1.22	0.525619579
1.23	0.522601136
1.24	0.519503319
1.25	0.51632685
1.26	0.513072527
1.27	0.509741245
1.28	0.506333991
1.29	0.50285184
1.3	0.499295957
1.31	0.495667599
1.32	0.491968114
1.33	0.488198953
1.34	0.484361658
1.35	0.480457868
1.36	0.476489307
1.37	0.472457778
1.38	0.46836515
1.39	0.464213366
1.4	0.460004436
1.41	0.455740425
1.42	0.451423437
1.43	0.447055649
1.44	0.442598364
1.45	0.438134499
1.46	0.433626581
1.47	0.429076909
1.48	0.424487802
1.49	0.419861594
1.5	0.415205593
1.51	0.410512355
1.52	0.405789032
1.53	0.401037952
1.54	0.396261422
1.55	0.391461724
1.56	0.386641188
1.57	0.38180212
1.58	0.376946764
1.59	0.372077312
1.6	0.367195915
1.61	0.362326107
1.62	0.357426931
1.63	0.352522105
1.64	0.34761367
1.65	0.3427036
1.66	0.337793945
1.67	0.332888331
1.68	0.327985271
1.69	0.323088219
1.7	0.318199188
1.71	0.313319911
1.72	0.308452173
1.73	0.303597733
1.74	0.298758325
1.75	0.293935661
1.76	0.289131427
1.77	0.284347288
1.78	0.279584887
1.79	0.274845845
1.8	0.270131757
1.81	0.265444195
1.82	0.260784706
1.83	0.256154807
1.84	0.251555991
1.85	0.246989717
1.86	0.242457401
1.87	0.237960433
1.88	0.23350018
1.89	0.229077934
1.9	0.224694958
1.91	0.220352474
1.92	0.21605165
1.93	0.211793609
1.94	0.207579421
1.95	0.203410105
1.96	0.199286628
1.97	0.195209902
1.98	0.191180788
1.99	0.18720009
2	0.18326856
2.01	0.179386895
2.02	0.175546273
2.03	0.171766394
2.04	0.168038137
2.05	0.164361985
2.06	0.160738369
2.07	0.157167668
2.08	0.153650212
2.09	0.150186282
2.1	0.146776116
2.11	0.143419908
2.12	0.1401178
2.13	0.136869891
2.14	0.133676231
2.15	0.13053683
2.16	0.127451655
2.17	0.124420635
2.18	0.121443657
2.19	0.118520573
2.2	0.115651196
2.21	0.112835305
2.22	0.110072644
2.23	0.107362915
2.24	0.104705822
2.25	0.102101006
2.26	0.099548091
2.27	0.097046667
2.28	0.094596301
2.29	0.092196539
2.3	0.089846901
2.31	0.087546885
2.32	0.085295968
2.33	0.083093609
2.34	0.080939246
2.35	0.078832301
2.36	0.07677218
2.37	0.074758275
2.38	0.072789963
2.39	0.070866611
2.4	0.068987578
2.41	0.067152214
2.42	0.065359858
2.43	0.063609838
2.44	0.061901474
2.45	0.060234081
2.46	0.058606972
2.47	0.057019456
2.48	0.05547084
2.49	0.053960427
2.5	0.052487517
2.51	0.051051413
2.52	0.049653341
2.53	0.048288683
2.54	0.046958747
2.55	0.045662793
2.56	0.044400234
2.57	0.043170336
2.58	0.041972419
2.59	0.040805809
2.6	0.039669836
2.61	0.038563838
2.62	0.037487157
2.63	0.036439142
2.64	0.035419151
2.65	0.034426548
2.66	0.033460705
2.67	0.032521003
2.68	0.031606829
2.69	0.030717579
2.7	0.029852666
2.71	0.029011512
2.72	0.028193524
2.73	0.027398141
2.74	0.026624807
2.75	0.025872974
2.76	0.025142105
2.77	0.024431546
2.78	0.023741031
2.79	0.023069924
2.8	0.022417726
2.81	0.021783948
2.82	0.02116811
2.83	0.020569743
2.84	0.019988387
2.85	0.019423591
2.86	0.018874916
2.87	0.01834193
2.88	0.017824212
2.89	0.017321348
2.9	0.016832938
2.91	0.016358586
2.92	0.015897908
2.93	0.01545053
2.94	0.015016085
2.95	0.014594216
2.96	0.014184572
2.97	0.013786813
2.98	0.013400604
2.99	0.013025615
3	0.012661514
3.01	0.012307983
3.02	0.011964817
3.03	0.011631741
3.04	0.011308377
3.05	0.010994443
3.06	0.010689677
3.07	0.010393822
3.08	0.010106623
3.09	0.009827832
3.1	0.009557205
3.11	0.009294506
3.12	0.009039507
3.13	0.008791981
3.14	0.008551713
3.15	0.00831849
3.16	0.008092106
3.17	0.00787236
3.18	0.007659058
3.19	0.00745201
3.2	0.007251033
3.21	0.007055946
3.22	0.006866577
3.23	0.006682756
3.24	0.006504319
3.25	0.006331106
3.26	0.006162963
3.27	0.006000642
3.28	0.00584223
3.29	0.005688448
3.3	0.005539158
3.31	0.005394228
3.32	0.005253525
3.33	0.005116925
3.34	0.004984304
3.35	0.004855542
3.36	0.004730522
3.37	0.004609132
3.38	0.004491265
3.39	0.004376815
3.4	0.004265684
3.41	0.004157776
3.42	0.004052974
3.43	0.003951133
3.44	0.003852245
3.45	0.00375622
3.46	0.003662956
3.47	0.003572365
3.48	0.003484366
3.49	0.003398881
3.5	0.003315834
3.51	0.003235151
3.52	0.003156761
3.53	0.003080595
3.54	0.003006587
3.55	0.002937381
3.56	0.002867459
3.57	0.002799507
3.58	0.002733464
3.59	0.002669275
3.6	0.002606882
3.61	0.002546231
3.62	0.002487272
3.63	0.002429952
3.64	0.002374223
3.65	0.002320037
3.66	0.002267348
3.67	0.002216111
3.68	0.002166282
3.69	0.00211782
3.7	0.002070683
3.71	0.002024832
3.72	0.001980229
3.73	0.001936837
3.74	0.00189462
3.75	0.001853542
3.76	0.001813571
3.77	0.001774672
3.78	0.001736816
3.79	0.001700027
3.8	0.001664159
3.81	0.001629244
3.82	0.001595253
3.83	0.001562159
3.84	0.001529936
3.85	0.001498559
3.86	0.001468003
3.87	0.001438243
3.88	0.001409469
3.89	0.001381229
3.9	0.001353717
3.91	0.001326914
3.92	0.001300798
3.93	0.001275348
3.94	0.001250547
3.95	0.001226374
3.96	0.001202811
3.97	0.001179842
3.98	0.00115745
3.99	0.001135624
4	0.001114344
end

dipole-x       5 5
name           "cc"
spin           0 0
lambda         1 1
<x|LZ|y>      -i -i
units          angstrom ea0
type           grid
values
0.6	0.194703893
0.61	0.202670676
0.62	0.210756328
0.63	0.218960784
0.64	0.227283326
0.65	0.235722612
0.66	0.244276724
0.67	0.252943193
0.68	0.26171898
0.69	0.270600534
0.7	0.279583773
0.71	0.288664074
0.72	0.297836435
0.73	0.307095548
0.74	0.316435802
0.75	0.325851154
0.76	0.33533538
0.77	0.344882095
0.78	0.354484636
0.79	0.364136688
0.8	0.373831347
0.81	0.383561959
0.82	0.393321701
0.83	0.403103561
0.84	0.412900284
0.85	0.422704291
0.86	0.432507612
0.87	0.442301835
0.88	0.452078065
0.89	0.461827028
0.9	0.471539063
0.91	0.481204105
0.92	0.49081169
0.93	0.500351058
0.94	0.509811105
0.95	0.51918045
0.96	0.528447454
0.97	0.537600288
0.98	0.546626957
0.99	0.55551529
1	0.564252947
1.01	0.57282746
1.02	0.581226204
1.03	0.589436309
1.04	0.597444989
1.05	0.605238948
1.06	0.612805279
1.07	0.620131571
1.08	0.62720326
1.09	0.634007543
1.1	0.64053106
1.11	0.646725265
1.12	0.652644149
1.13	0.65824193
1.14	0.663505619
1.15	0.668422271
1.16	0.672979228
1.17	0.677164116
1.18	0.680964909
1.19	0.684369974
1.2	0.687368123
1.21	0.689948648
1.22	0.692101327
1.23	0.693816479
1.24	0.695084929
1.25	0.69589791
1.26	0.696246997
1.27	0.696140279
1.28	0.69553755
1.29	0.694444934
1.3	0.692851982
1.31	0.690746879
1.32	0.688118675
1.33	0.684965123
1.34	0.681308093
1.35	0.677143237
1.36	0.672632952
1.37	0.66773261
1.38	0.662416503
1.39	0.656657132
1.4	0.650442156
1.41	0.643772549
1.42	0.636656846
1.43	0.629107352
1.44	0.621141722
1.45	0.612768944
1.46	0.604008214
1.47	0.594876572
1.48	0.585391837
1.49	0.575572594
1.5	0.565435241
1.51	0.555004753
1.52	0.544299882
1.53	0.533341958
1.54	0.522152922
1.55	0.510755283
1.56	0.499171744
1.57	0.487425295
1.58	0.475539315
1.59	0.463537444
1.6	0.451443417
1.61	0.439280942
1.62	0.427073593
1.63	0.414844725
1.64	0.402617392
1.65	0.390414243
1.66	0.378257412
1.67	0.366168429
1.68	0.35416813
1.69	0.342276564
1.7	0.330512908
1.71	0.318895385
1.72	0.307441189
1.73	0.29616642
1.74	0.28508602
1.75	0.27421373
1.76	0.263562049
1.77	0.253142205
1.78	0.242964142
1.79	0.23303651
1.8	0.223366675
1.81	0.213960735
1.82	0.204823542
1.83	0.195958738
1.84	0.187368802
1.85	0.17905509
1.86	0.171017949
1.87	0.163256747
1.88	0.155769915
1.89	0.14855507
1.9	0.141609067
1.91	0.134928079
1.92	0.128507671
1.93	0.122342872
1.94	0.116428246
1.95	0.110757965
1.96	0.10532585
1.97	0.100125517
1.98	0.095150309
1.99	0.090393432
2	0.08584798
2.01	0.081506985
2.02	0.077363451
2.03	0.073410388
2.04	0.069640847
2.05	0.066047946
2.06	0.062624891
2.07	0.059365001
2.08	0.056261718
2.09	0.053308618
2.1	0.050499426
2.11	0.047828034
2.12	0.045288513
2.13	0.042875113
2.14	0.040582254
2.15	0.038404542
2.16	0.036336761
2.17	0.034373883
2.18	0.032511059
2.19	0.030743625
2.2	0.029067095
2.21	0.027477163
2.22	0.025969696
2.23	0.02454072
2.24	0.023186439
2.25	0.021903275
2.26	0.020687723
2.27	0.019536443
2.28	0.01844626
2.29	0.017414141
2.3	0.016437186
2.31	0.015512175
2.32	0.014637376
2.33	0.013809814
2.34	0.01302709
2.35	0.012286913
2.36	0.011587105
2.37	0.01092559
2.38	0.010300391
2.39	0.009709628
2.4	0.009151512
2.41	0.008624341
2.42	0.008126497
2.43	0.007656442
2.44	0.007212717
2.45	0.006793934
2.46	0.00639877
2.47	0.006025962
2.48	0.00567431
2.49	0.005342678
2.5	0.005029998
2.51	0.004735253
2.52	0.004457478
2.53	0.004195757
2.54	0.003949219
2.55	0.003717038
2.56	0.0035075
2.57	0.003301075
2.58	0.003106814
2.59	0.002924049
2.6	0.002752147
2.61	0.002590503
2.62	0.002438545
2.63	0.002295728
2.64	0.002161535
2.65	0.002035477
2.66	0.00191709
2.67	0.001805935
2.68	0.0017016
2.69	0.001603696
2.7	0.00151185
2.71	0.001425678
2.72	0.001344889
2.73	0.001269163
2.74	0.001198202
2.75	0.001131726
2.76	0.001069471
2.77	0.001011186
2.78	0.000956637
2.79	0.000905601
2.8	0.000857869
2.81	0.000813242
2.82	0.000771533
2.83	0.000732567
2.84	0.000696175
2.85	0.000662199
2.86	0.000630489
2.87	0.000600903
2.88	0.000573306
2.89	0.000547572
2.9	0.00052358
2.91	0.000501216
2.92	0.000480375
2.93	0.000458072
2.94	0.000440024
2.95	0.000423208
2.96	0.000407536
2.97	0.000392916
2.98	0.00037925
2.99	0.000366407
3	0.000354217
3.01	0.000342714
3.02	0.000332665
3.03	0.000323798
3.04	0.000315401
3.05	0.000307423
3.06	0.00029991
3.07	0.000292868
3.08	0.000286281
3.09	0.000280125
3.1	0.00027437
3.11	0.000268987
3.12	0.00026395
3.13	0.00025923
3.14	0.000254803
3.15	0.000250645
3.16	0.000246734
3.17	0.000243055
3.18	0.000239576
3.19	0.000236285
3.2	0.000233165
3.21	0.000230201
3.22	0.000227379
3.23	0.000224684
3.24	0.000222105
3.25	0.000219631
3.26	0.000217251
3.27	0.000214955
3.28	0.000212736
3.29	0.000210585
3.3	0.000208494
3.31	0.000206459
3.32	0.000204472
3.33	0.000202528
3.34	0.000200623
3.35	0.000198752
3.36	0.00019691
3.37	0.000195093
3.38	0.000193294
3.39	0.000191507
3.4	0.000189727
3.41	0.000187948
3.42	0.000186179
3.43	0.000184429
3.44	0.000182651
3.45	0.000180859
3.46	0.000179058
3.47	0.000177247
3.48	0.000175427
3.49	0.000173597
3.5	0.000171757
3.51	0.000169907
3.52	0.000168049
3.53	0.000166183
3.54	0.00016431
3.55	0.000162429
3.56	0.000160543
3.57	0.000158651
3.58	0.000156755
3.59	0.000154854
3.6	0.00015295
3.61	0.000151043
3.62	0.000149134
3.63	0.000147223
3.64	0.000145311
3.65	0.0001434
3.66	0.000141488
3.67	0.000139578
3.68	0.000137669
3.69	0.000135762
3.7	0.000133858
3.71	0.000131958
3.72	0.000130062
3.73	0.00012817
3.74	0.000126284
3.75	0.000124404
3.76	0.00012253
3.77	0.000120664
3.78	0.000118805
3.79	0.000116955
3.8	0.000115162
3.81	0.00011333
3.82	0.000111507
3.83	0.000109695
3.84	0.000107894
3.85	0.000106104
3.86	0.000104326
3.87	0.00010256
3.88	0.000100806
3.89	9.90646E-05
3.9	9.73361E-05
3.91	9.56203E-05
3.92	9.39485E-05
3.93	9.22576E-05
3.94	9.05789E-05
3.95	8.8912E-05
3.96	8.7256E-05
3.97	8.561E-05
3.98	8.39726E-05
3.99	8.23423E-05
4	8.07175E-05
end

dipole-x       1 3
name           "XA"
spin           1 1
lambda         0 1
<x|LZ|y>       0 -i
units          angstrom ea0
type           grid
values
0.6	-0.376856306
0.61	-0.374086489
0.62	-0.371285603
0.63	-0.36845553
0.64	-0.36559799
0.65	-0.362714538
0.66	-0.35980658
0.67	-0.356875426
0.68	-0.353922323
0.69	-0.350948433
0.7	-0.34795478
0.71	-0.344942183
0.72	-0.341911362
0.73	-0.33886299
0.74	-0.335797563
0.75	-0.3327154
0.76	-0.329619738
0.77	-0.326504756
0.78	-0.323372851
0.79	-0.32022407
0.8	-0.317057662
0.81	-0.313873138
0.82	-0.310670043
0.83	-0.307447933
0.84	-0.304206398
0.85	-0.300945164
0.86	-0.297664094
0.87	-0.294364259
0.88	-0.291043378
0.89	-0.287703019
0.9	-0.284343592
0.91	-0.280965516
0.92	-0.277569276
0.93	-0.274155381
0.94	-0.270724368
0.95	-0.267276769
0.96	-0.263813088
0.97	-0.260333817
0.98	-0.256839454
0.99	-0.253330473
1	-0.249807308
1.01	-0.246270335
1.02	-0.242719879
1.03	-0.239139137
1.04	-0.23556156
1.05	-0.231970358
1.06	-0.228365661
1.07	-0.224746809
1.08	-0.221113936
1.09	-0.217468048
1.1	-0.213814673
1.11	-0.210161003
1.12	-0.206533828
1.13	-0.202887119
1.14	-0.199237314
1.15	-0.195580688
1.16	-0.191889109
1.17	-0.188215074
1.18	-0.184534185
1.19	-0.180846277
1.2	-0.177152712
1.21	-0.173454293
1.22	-0.169751748
1.23	-0.166045776
1.24	-0.162337066
1.25	-0.158626284
1.26	-0.154914066
1.27	-0.15120102
1.28	-0.147487828
1.29	-0.143774843
1.3	-0.140062711
1.31	-0.13635196
1.32	-0.132643111
1.33	-0.128936729
1.34	-0.125233321
1.35	-0.121533548
1.36	-0.117838139
1.37	-0.114147963
1.38	-0.110464051
1.39	-0.106787626
1.4	-0.103120038
1.41	-0.099463006
1.42	-0.095818169
1.43	-0.092187332
1.44	-0.088572338
1.45	-0.084975027
1.46	-0.081397203
1.47	-0.077840626
1.48	-0.074307012
1.49	-0.070798049
1.5	-0.067316966
1.51	-0.063862431
1.52	-0.060437801
1.53	-0.057044664
1.54	-0.053685019
1.55	-0.05036088
1.56	-0.047074282
1.57	-0.043777579
1.58	-0.040571691
1.59	-0.037410298
1.6	-0.034295838
1.61	-0.031230822
1.62	-0.028217825
1.63	-0.02525947
1.64	-0.022358405
1.65	-0.019517289
1.66	-0.016738769
1.67	-0.014025426
1.68	-0.011379848
1.69	-0.008804538
1.7	-0.006302088
1.71	-0.003874353
1.72	-0.001523639
1.73	0.000748121
1.74	0.002939186
1.75	0.005048033
1.76	0.007073367
1.77	0.009014142
1.78	0.01086957
1.79	0.012639126
1.8	0.014322557
1.81	0.015919883
1.82	0.017431392
1.83	0.018857636
1.84	0.020199424
1.85	0.021457814
1.86	0.022634082
1.87	0.023729713
1.88	0.0247464
1.89	0.025686006
1.9	0.026550548
1.91	0.02734218
1.92	0.028062943
1.93	0.028715633
1.94	0.029302482
1.95	0.029825984
1.96	0.03028867
1.97	0.030693096
1.98	0.031041823
1.99	0.031337504
2	0.031582472
2.01	0.031779339
2.02	0.031930575
2.03	0.032038905
2.04	0.032106082
2.05	0.032134728
2.06	0.032127088
2.07	0.032085339
2.08	0.032011589
2.09	0.03190787
2.1	0.031776144
2.11	0.031618298
2.12	0.031436142
2.13	0.031231409
2.14	0.031005758
2.15	0.030760774
2.16	0.030497972
2.17	0.030218794
2.18	0.029924614
2.19	0.029616738
2.2	0.029296408
2.21	0.028964799
2.22	0.028623027
2.23	0.028272151
2.24	0.027913155
2.25	0.027546996
2.26	0.027174561
2.27	0.026796684
2.28	0.026414155
2.29	0.026027715
2.3	0.025638061
2.31	0.02524585
2.32	0.024858034
2.33	0.024462308
2.34	0.024065752
2.35	0.02366887
2.36	0.023272133
2.37	0.022875982
2.38	0.022480825
2.39	0.022087042
2.4	0.021694981
2.41	0.02130496
2.42	0.020917271
2.43	0.02053219
2.44	0.020149976
2.45	0.01977087
2.46	0.019395087
2.47	0.019022821
2.48	0.018654248
2.49	0.018289534
2.5	0.017928828
2.51	0.017572266
2.52	0.017219968
2.53	0.01687204
2.54	0.016528577
2.55	0.016189661
2.56	0.015855363
2.57	0.015525746
2.58	0.015200861
2.59	0.014880753
2.6	0.014565456
2.61	0.014254998
2.62	0.013949398
2.63	0.013648669
2.64	0.013352818
2.65	0.013061844
2.66	0.012775744
2.67	0.012494506
2.68	0.012218116
2.69	0.011946554
2.7	0.011679799
2.71	0.011418031
2.72	0.011160803
2.73	0.010908289
2.74	0.010660452
2.75	0.010417254
2.76	0.010178653
2.77	0.009944604
2.78	0.009715063
2.79	0.009489981
2.8	0.009269308
2.81	0.009052994
2.82	0.008840986
2.83	0.008633232
2.84	0.008429676
2.85	0.008230263
2.86	0.008034937
2.87	0.007843642
2.88	0.007656321
2.89	0.007472917
2.9	0.007293371
2.91	0.007117627
2.92	0.006945626
2.93	0.006777311
2.94	0.006612623
2.95	0.006451506
2.96	0.006293901
2.97	0.006139753
2.98	0.005989003
2.99	0.005841587
3	0.005697398
3.01	0.005556169
3.02	0.005417751
3.03	0.005282765
3.04	0.005151096
3.05	0.00502244
3.06	0.004896691
3.07	0.004773793
3.08	0.004653696
3.09	0.004536348
3.1	0.0044217
3.11	0.00430945
3.12	0.004200052
3.13	0.0040932
3.14	0.003988845
3.15	0.003886938
3.16	0.003787428
3.17	0.003690269
3.18	0.003595413
3.19	0.003502811
3.2	0.003412417
3.21	0.003324186
3.22	0.003238072
3.23	0.00315403
3.24	0.003072016
3.25	0.002991987
3.26	0.0029139
3.27	0.002837714
3.28	0.002763387
3.29	0.002690879
3.3	0.00262015
3.31	0.002551162
3.32	0.002483877
3.33	0.002418257
3.34	0.002354265
3.35	0.002291866
3.36	0.002231024
3.37	0.002171706
3.38	0.002113876
3.39	0.002057504
3.4	0.002002557
3.41	0.001949003
3.42	0.001896789
3.43	0.001845863
3.44	0.001796254
3.45	0.001747923
3.46	0.001700827
3.47	0.001654935
3.48	0.001610218
3.49	0.001566648
3.5	0.001524198
3.51	0.00148284
3.52	0.00144255
3.53	0.0014033
3.54	0.001365067
3.55	0.001327825
3.56	0.001291552
3.57	0.001256224
3.58	0.001221816
3.59	0.001188288
3.6	0.001155658
3.61	0.001123885
3.62	0.001092947
3.63	0.001062824
3.64	0.001033495
3.65	0.001004941
3.66	0.000977144
3.67	0.000950083
3.68	0.000923741
3.69	0.0008981
3.7	0.000873142
3.71	0.00084885
3.72	0.000825208
3.73	0.000802199
3.74	0.000779808
3.75	0.000758018
3.76	0.000736815
3.77	0.000716183
3.78	0.000696107
3.79	0.000676574
3.8	0.00065757
3.81	0.000639082
3.82	0.000621095
3.83	0.000603596
3.84	0.000586575
3.85	0.000570017
3.86	0.000553911
3.87	0.000538246
3.88	0.00052301
3.89	0.000508182
3.9	0.000493767
3.91	0.000479748
3.92	0.000466117
3.93	0.000452862
3.94	0.000439975
3.95	0.000427445
3.96	0.000415262
3.97	0.000403415
3.98	0.000391893
3.99	0.000380685
4	0.000369779
end

dipole-x       2 5
name           "ac"
spin           0 0
lambda         2 1
<x|LZ|y>       2i -i
units          angstrom ea0
type           grid
values
0.6	0.321420172
0.61	0.318246593
0.62	0.315024985
0.63	0.31175822
0.64	0.308449068
0.65	0.3051002
0.66	0.301714175
0.67	0.298293485
0.68	0.294840564
0.69	0.291357731
0.7	0.287847177
0.71	0.284310971
0.72	0.28075109
0.73	0.277169436
0.74	0.273567741
0.75	0.269947518
0.76	0.266310381
0.77	0.262657745
0.78	0.258990863
0.79	0.255311091
0.8	0.25161932
0.81	0.247916575
0.82	0.244196441
0.83	0.240474887
0.84	0.236744856
0.85	0.233007122
0.86	0.229262492
0.87	0.225511716
0.88	0.22175558
0.89	0.2179951
0.9	0.214231261
0.91	0.21046505
0.92	0.206697479
0.93	0.202929583
0.94	0.199162419
0.95	0.195397083
0.96	0.191634684
0.97	0.18787636
0.98	0.184123274
0.99	0.18037659
1	0.17663746
1.01	0.172907016
1.02	0.169186367
1.03	0.165476607
1.04	0.161775684
1.05	0.158090551
1.06	0.154419436
1.07	0.150762714
1.08	0.147122458
1.09	0.143499135
1.1	0.139893674
1.11	0.136284745
1.12	0.132714916
1.13	0.129165399
1.14	0.125640103
1.15	0.122133876
1.16	0.118650431
1.17	0.115190548
1.18	0.111755005
1.19	0.108344577
1.2	0.104960043
1.21	0.101602193
1.22	0.098271832
1.23	0.094969822
1.24	0.091697082
1.25	0.08845458
1.26	0.085243317
1.27	0.082061976
1.28	0.078916061
1.29	0.075804037
1.3	0.072725827
1.31	0.069679615
1.32	0.066660189
1.33	0.063657791
1.34	0.060660618
1.35	0.057615458
1.36	0.054637533
1.37	0.051703915
1.38	0.048829101
1.39	0.046014114
1.4	0.043254313
1.41	0.040545046
1.42	0.037883281
1.43	0.035267439
1.44	0.032696071
1.45	0.03017066
1.46	0.027690964
1.47	0.025257584
1.48	0.022871233
1.49	0.020532687
1.5	0.018240336
1.51	0.015999566
1.52	0.013809121
1.53	0.011669648
1.54	0.009581861
1.55	0.00754643
1.56	0.005564009
1.57	0.003635284
1.58	0.001760893
1.59	-5.86183E-05
1.6	-0.001822776
1.61	-0.003544324
1.62	-0.00519684
1.63	-0.006792936
1.64	-0.008332385
1.65	-0.009815028
1.66	-0.011240783
1.67	-0.012609565
1.68	-0.013921587
1.69	-0.015176921
1.7	-0.016375795
1.71	-0.017518514
1.72	-0.018605468
1.73	-0.019637129
1.74	-0.020614051
1.75	-0.02153687
1.76	-0.022406301
1.77	-0.023223137
1.78	-0.023988249
1.79	-0.024702576
1.8	-0.025367127
1.81	-0.025982974
1.82	-0.026551249
1.83	-0.027073138
1.84	-0.027549874
1.85	-0.027982736
1.86	-0.028373029
1.87	-0.028722092
1.88	-0.029031288
1.89	-0.029302002
1.9	-0.029535625
1.91	-0.029733558
1.92	-0.029897201
1.93	-0.030027953
1.94	-0.030127203
1.95	-0.030196326
1.96	-0.030236695
1.97	-0.030249623
1.98	-0.030236439
1.99	-0.030198433
2	-0.030136863
2.01	-0.030052962
2.02	-0.029931228
2.03	-0.029806334
2.04	-0.029662612
2.05	-0.02950116
2.06	-0.029323039
2.07	-0.029129279
2.08	-0.02892087
2.09	-0.028698773
2.1	-0.028463912
2.11	-0.028217172
2.12	-0.027959406
2.13	-0.027691432
2.14	-0.027414037
2.15	-0.02712798
2.16	-0.026833983
2.17	-0.026532743
2.18	-0.026224923
2.19	-0.025911157
2.2	-0.025592051
2.21	-0.025268184
2.22	-0.024940106
2.23	-0.024608345
2.24	-0.024273393
2.25	-0.023935733
2.26	-0.023595811
2.27	-0.02325406
2.28	-0.022910888
2.29	-0.022566681
2.3	-0.022221807
2.31	-0.021876513
2.32	-0.021531327
2.33	-0.021186458
2.34	-0.0208422
2.35	-0.020498828
2.36	-0.0201566
2.37	-0.019815759
2.38	-0.019476534
2.39	-0.019139142
2.4	-0.018803789
2.41	-0.018470678
2.42	-0.018139991
2.43	-0.017811894
2.44	-0.017486534
2.45	-0.01716405
2.46	-0.016844568
2.47	-0.016528208
2.48	-0.01621508
2.49	-0.015905285
2.5	-0.015598916
2.51	-0.015296059
2.52	-0.014996881
2.53	-0.014701271
2.54	-0.014409383
2.55	-0.014121274
2.56	-0.013824989
2.57	-0.013544707
2.58	-0.01326833
2.59	-0.012995889
2.6	-0.012727407
2.61	-0.012462905
2.62	-0.012202396
2.63	-0.011945891
2.64	-0.011693397
2.65	-0.011444915
2.66	-0.011200444
2.67	-0.01095998
2.68	-0.010723512
2.69	-0.010491029
2.7	-0.010262515
2.71	-0.010037956
2.72	-0.009817328
2.73	-0.009600607
2.74	-0.009387769
2.75	-0.009178783
2.76	-0.008973622
2.77	-0.008772253
2.78	-0.00857464
2.79	-0.00838075
2.8	-0.008190546
2.81	-0.00800399
2.82	-0.007821042
2.83	-0.007641663
2.84	-0.007465811
2.85	-0.007293444
2.86	-0.00712452
2.87	-0.006958995
2.88	-0.006796825
2.89	-0.006637966
2.9	-0.006482371
2.91	-0.006329997
2.92	-0.006180797
2.93	-0.006034439
2.94	-0.005891452
2.95	-0.005751501
2.96	-0.005614543
2.97	-0.005480534
2.98	-0.005349432
2.99	-0.005221189
3	-0.005095709
3.01	-0.004972694
3.02	-0.004851934
3.03	-0.004734173
3.04	-0.004619346
3.05	-0.004507137
3.06	-0.004397432
3.07	-0.004290181
3.08	-0.004185339
3.09	-0.004082867
3.1	-0.00398272
3.11	-0.003884858
3.12	-0.003789237
3.13	-0.003695816
3.14	-0.003604551
3.15	-0.003515402
3.16	-0.003428326
3.17	-0.003343283
3.18	-0.003260233
3.19	-0.003179134
3.2	-0.003099947
3.21	-0.003022634
3.22	-0.002947155
3.23	-0.002873473
3.24	-0.00280155
3.25	-0.002731348
3.26	-0.002662833
3.27	-0.00259019
3.28	-0.002524995
3.29	-0.00246138
3.3	-0.002399311
3.31	-0.002338753
3.32	-0.002279676
3.33	-0.002222045
3.34	-0.002165831
3.35	-0.002111003
3.36	-0.00205753
3.37	-0.002005382
3.38	-0.001954531
3.39	-0.001904948
3.4	-0.001856606
3.41	-0.001809472
3.42	-0.001763492
3.43	-0.001718639
3.44	-0.001674948
3.45	-0.001632368
3.46	-0.001590861
3.47	-0.001550402
3.48	-0.001510964
3.49	-0.001472525
3.5	-0.00143506
3.51	-0.001398546
3.52	-0.001362961
3.53	-0.001328283
3.54	-0.001294489
3.55	-0.001261503
3.56	-0.001229438
3.57	-0.001198195
3.58	-0.001167755
3.59	-0.001138098
3.6	-0.001109206
3.61	-0.001081059
3.62	-0.001053639
3.63	-0.001026929
3.64	-0.001000912
3.65	-0.00097557
3.66	-0.000950886
3.67	-0.000926844
3.68	-0.000903429
3.69	-0.000880625
3.7	-0.000858416
3.71	-0.000836788
3.72	-0.000815726
3.73	-0.000795216
3.74	-0.000775245
3.75	-0.000755798
3.76	-0.000736862
3.77	-0.000718425
3.78	-0.000700475
3.79	-0.000683
3.8	-0.000665999
3.81	-0.000649433
3.82	-0.000633306
3.83	-0.000617607
3.84	-0.000602325
3.85	-0.000587448
3.86	-0.000572968
3.87	-0.000558873
3.88	-0.000545116
3.89	-0.000531762
3.9	-0.000518766
3.91	-0.000506117
3.92	-0.000493817
3.93	-0.000481837
3.94	-0.000470178
3.95	-0.000458832
3.96	-0.000447792
3.97	-0.000437049
3.98	-0.000426596
3.99	-0.000416424
4	-0.000406527
end

dipole-x       4 5
name           "bc"
spin           0 0
lambda         0 1
<x|LZ|y>       0 -i
units          angstrom ea0
type           grid
values
0.6	0.196060403
0.61	0.193780498
0.62	0.191457567
0.63	0.189094552
0.64	0.186694151
0.65	0.184258846
0.66	0.181790953
0.67	0.179292648
0.68	0.176765996
0.69	0.174213025
0.7	0.171635784
0.71	0.169036397
0.72	0.166417057
0.73	0.163779953
0.74	0.161127338
0.75	0.158461505
0.76	0.155784617
0.77	0.153098867
0.78	0.15040641
0.79	0.147709139
0.8	0.145009068
0.81	0.142307883
0.82	0.139603749
0.83	0.136904888
0.84	0.134209197
0.85	0.131520495
0.86	0.1288346
0.87	0.126154977
0.88	0.123482513
0.89	0.120818017
0.9	0.118162344
0.91	0.115516337
0.92	0.112880856
0.93	0.110256759
0.94	0.10764491
0.95	0.105046175
0.96	0.102461437
0.97	0.099891572
0.98	0.097337457
0.99	0.094799979
1	0.092280046
1.01	0.089778592
1.02	0.087296587
1.03	0.084835001
1.04	0.082395628
1.05	0.079978158
1.06	0.077584256
1.07	0.075215746
1.08	0.072872404
1.09	0.070556095
1.1	0.068268074
1.11	0.066042541
1.12	0.063818579
1.13	0.06162696
1.14	0.059469744
1.15	0.057346669
1.16	0.055259682
1.17	0.053209958
1.18	0.051198623
1.19	0.049226752
1.2	0.047295361
1.21	0.045405407
1.22	0.043557792
1.23	0.041753359
1.24	0.039992875
1.25	0.038277032
1.26	0.036606438
1.27	0.034980529
1.28	0.03340169
1.29	0.031868988
1.3	0.030382112
1.31	0.028940237
1.32	0.027542091
1.33	0.026186754
1.34	0.024875723
1.35	0.02366585
1.36	0.022463397
1.37	0.021321163
1.38	0.020237002
1.39	0.019207039
1.4	0.018228461
1.41	0.017299726
1.42	0.016420137
1.43	0.015589258
1.44	0.014814054
1.45	0.014080115
1.46	0.013393762
1.47	0.012754467
1.48	0.012161608
1.49	0.011614463
1.5	0.011113816
1.51	0.010655858
1.52	0.010240913
1.53	0.009867883
1.54	0.009535592
1.55	0.009242772
1.56	0.00898814
1.57	0.008770378
1.58	0.008588089
1.59	0.00843976
1.6	0.008323813
1.61	0.008227738
1.62	0.00817126
1.63	0.008142233
1.64	0.008138954
1.65	0.008159708
1.66	0.008202759
1.67	0.008266161
1.68	0.008348623
1.69	0.008448194
1.7	0.008563195
1.71	0.008691938
1.72	0.008832783
1.73	0.008984129
1.74	0.009144425
1.75	0.009312174
1.76	0.009485941
1.77	0.009664354
1.78	0.009846115
1.79	0.010029995
1.8	0.010214847
1.81	0.010399599
1.82	0.010583259
1.83	0.010764917
1.84	0.010943741
1.85	0.011118984
1.86	0.01128997
1.87	0.011456094
1.88	0.011616828
1.89	0.011771714
1.9	0.011920358
1.91	0.012062426
1.92	0.01219764
1.93	0.01232578
1.94	0.012446673
1.95	0.01256019
1.96	0.012666226
1.97	0.012764766
1.98	0.012855775
1.99	0.012939267
2	0.013015281
2.01	0.013083878
2.02	0.013161575
2.03	0.013215439
2.04	0.01326218
2.05	0.01330193
2.06	0.013334832
2.07	0.013361038
2.08	0.013380712
2.09	0.013394022
2.1	0.013401145
2.11	0.01340226
2.12	0.013397546
2.13	0.013387184
2.14	0.01337136
2.15	0.01335026
2.16	0.01332407
2.17	0.013292977
2.18	0.013257163
2.19	0.013216813
2.2	0.013172108
2.21	0.013123227
2.22	0.013070346
2.23	0.013013635
2.24	0.012953286
2.25	0.012889438
2.26	0.012822265
2.27	0.01275193
2.28	0.012678592
2.29	0.012602405
2.3	0.012523519
2.31	0.012442322
2.32	0.012358474
2.33	0.01227236
2.34	0.012184115
2.35	0.012093874
2.36	0.012001765
2.37	0.011907913
2.38	0.011812441
2.39	0.011715463
2.4	0.011617092
2.41	0.011517438
2.42	0.011416613
2.43	0.011314722
2.44	0.01121187
2.45	0.011108156
2.46	0.011003672
2.47	0.010898508
2.48	0.010792748
2.49	0.010686478
2.5	0.010579779
2.51	0.010472729
2.52	0.010344953
2.53	0.010237759
2.54	0.010130429
2.55	0.010023028
2.56	0.009901922
2.57	0.00979469
2.58	0.009687577
2.59	0.009580638
2.6	0.009473926
2.61	0.00936749
2.62	0.009261377
2.63	0.009155632
2.64	0.009050299
2.65	0.008945417
2.66	0.008841025
2.67	0.008737161
2.68	0.008633858
2.69	0.008531149
2.7	0.008429064
2.71	0.008327643
2.72	0.008226903
2.73	0.008126871
2.74	0.008027573
2.75	0.007929031
2.76	0.007831266
2.77	0.007734788
2.78	0.007638627
2.79	0.007543298
2.8	0.007448817
2.81	0.007355198
2.82	0.007262455
2.83	0.007170598
2.84	0.00707964
2.85	0.00698959
2.86	0.006900457
2.87	0.006812249
2.88	0.006724972
2.89	0.006638632
2.9	0.006553235
2.91	0.006468785
2.92	0.006385286
2.93	0.006302898
2.94	0.006221305
2.95	0.00614067
2.96	0.006060995
2.97	0.005982284
2.98	0.005904539
2.99	0.005827754
3	0.005751869
3.01	0.005676607
3.02	0.005601849
3.03	0.005528444
3.04	0.005456307
3.05	0.005385142
3.06	0.005314882
3.07	0.005245519
3.08	0.00517705
3.09	0.005109475
3.1	0.005042789
3.11	0.004976988
3.12	0.004912067
3.13	0.004848019
3.14	0.004784839
3.15	0.004722519
3.16	0.004661051
3.17	0.004600427
3.18	0.004540642
3.19	0.004481687
3.2	0.004423553
3.21	0.004366233
3.22	0.004309717
3.23	0.004253997
3.24	0.004199065
3.25	0.004144912
3.26	0.004091529
3.27	0.004043928
3.28	0.003991999
3.29	0.003940816
3.3	0.00389037
3.31	0.003840651
3.32	0.003791651
3.33	0.003743362
3.34	0.003695776
3.35	0.003648883
3.36	0.003602676
3.37	0.003557147
3.38	0.003512285
3.39	0.003468083
3.4	0.003424526
3.41	0.003381597
3.42	0.003339271
3.43	0.003297617
3.44	0.003256609
3.45	0.003216193
3.46	0.003176364
3.47	0.003137119
3.48	0.00309845
3.49	0.00306035
3.5	0.00302281
3.51	0.002985823
3.52	0.002949379
3.53	0.002913472
3.54	0.002878093
3.55	0.002838953
3.56	0.002804734
3.57	0.002771015
3.58	0.00273779
3.59	0.002705052
3.6	0.002672791
3.61	0.002641002
3.62	0.002609678
3.63	0.00257881
3.64	0.002548392
3.65	0.002518417
3.66	0.002488878
3.67	0.002459769
3.68	0.002431082
3.69	0.002402811
3.7	0.002374949
3.71	0.002347491
3.72	0.002320428
3.73	0.002293756
3.74	0.002267468
3.75	0.002241558
3.76	0.00221602
3.77	0.002190848
3.78	0.002166036
3.79	0.0021414
3.8	0.00211728
3.81	0.002093517
3.82	0.002070093
3.83	0.002047
3.84	0.002024235
3.85	0.002001792
3.86	0.001979665
3.87	0.001957851
3.88	0.001936226
3.89	0.001915019
3.9	0.00189411
3.91	0.001873493
3.92	0.001853157
3.93	0.001833111
3.94	0.001813345
3.95	0.001793855
3.96	0.001774637
3.97	0.001755689
3.98	0.001737009
3.99	0.001718596
4	0.00170043
end

(########################################################################## INTENSITY CALCULATIONS)

intensity
absorption
THRESH_INTES 1e-40
THRESH_LINE 1e-40
TEMPERATURE 2000
GNS 4
selection 1 1
Lande
linelist 15N1H_XabAc
J 0, 60
freq-window 0, 47500
energy low 0, 47500 upper 0, 47500
end

(####################################################### FITTING WITH EXPERIMENTAL MARVEL ENERGIES)

fitting off
jrot 1 0 2 - 60
itmax 0
output 15N1H_XabAc
lock -10
fit_type dgelss
robust 0.0001
energies (J p Count         Energy      n       v     Lambda  Sigma   Omega         Weight)
0	+	1	3.15702720E+01	1	0	0	0	0	1.11111000E+11
0	+	2	3.15584448E+03	1	1	0	0	0	4.00000000E+06
0	+	3	6.12385117E+03	1	2	0	0	0	2.00060418E+06
0	+	4	8.93527442E+03	1	3	0	0	0	7.97193878E+05
0	+	5	1.15886820E+04	1	4	0	0	0	1.00000000E+06
1	+	1	3.33555400E+01	1	0	0	1	1	1.11111000E+11
1	+	2	3.15763146E+03	1	1	0	1	1	4.00000000E+06
1	+	3	6.12563791E+03	1	2	0	1	1	2.00060418E+06
1	+	4	8.93706042E+03	1	3	0	1	1	1.33341156E+06
1	+	5	1.15904595E+04	1	4	0	1	1	1.00000000E+06
1	-	1	0.00000000E+00	1	0	0	-1	-1	1.00000000E+09
1	-	2	9.75651830E+01	1	0	0	0	0	2.94213699E+10
1	-	3	3.12557241E+03	1	1	0	-1	-1	4.00000000E+06
1	-	4	3.21924920E+03	1	1	0	0	0	4.00000000E+06
1	-	5	6.09487429E+03	1	2	0	-1	-1	2.00060418E+06
1	-	6	6.18466908E+03	1	2	0	0	0	2.00060418E+06
1	-	7	8.90759729E+03	1	3	0	-1	-1	1.33341156E+06
1	-	8	8.99349494E+03	1	3	0	0	0	1.33341156E+06
1	-	9	1.15623129E+04	1	4	0	-1	-1	6.29881582E+05
1	-	10	1.16442691E+04	1	4	0	0	0	1.00000000E+06
1	-	11	1.41340817E+04	1	5	0	0	0	3.19193080E+05
2	+	1	3.25048700E+01	1	0	0	1	1	1.11111000E+11
2	+	2	1.95615443E+02	1	0	0	0	0	1.69542101E+10
2	+	3	3.15678684E+03	1	1	0	1	1	4.00000000E+06
2	+	4	3.31341781E+03	1	1	0	0	0	4.00000000E+06
2	+	5	6.12480009E+03	1	2	0	1	1	2.00060418E+06
2	+	6	6.27496078E+03	1	2	0	0	0	2.00060418E+06
2	+	7	8.93622915E+03	1	3	0	1	1	1.33341156E+06
2	+	8	9.07989289E+03	1	3	0	0	0	1.33341156E+06
2	+	9	1.15896362E+04	1	4	0	1	1	1.00000000E+06
2	+	10	1.17267284E+04	1	4	0	0	0	6.71862403E+05
2	+	11	1.42125224E+04	1	5	0	0	0	7.97193878E+05
2	-	1	9.86741200E+01	1	0	0	-1	-1	2.94213699E+10
2	-	2	3.22036336E+03	1	1	0	-1	-1	4.00000000E+06
2	-	3	6.18578662E+03	1	2	0	-1	-1	2.00060418E+06
2	-	4	8.99461491E+03	1	3	0	-1	-1	1.33341156E+06
2	-	5	1.16453897E+04	1	4	0	-1	-1	1.00000000E+06
2	-	6	1.41351986E+04	1	5	0	-1	-1	7.97193878E+05
3	+	1	1.96549960E+02	1	0	0	1	1	1.69542101E+10
3	+	2	3.31436059E+03	1	1	0	1	1	4.00000000E+06
3	+	3	6.27591014E+03	1	2	0	1	1	2.00060418E+06
3	+	4	9.08084735E+03	1	3	0	1	1	1.33341156E+06
3	+	5	1.17276878E+04	1	4	0	1	1	1.00000000E+06
3	+	6	1.42134782E+04	1	5	0	1	1	7.97193878E+05
3	-	1	9.77175900E+01	1	0	0	-1	-1	2.94213699E+10
3	-	2	3.26031772E+02	1	0	0	0	0	1.18921760E+10
3	-	3	3.21941583E+03	1	1	0	-1	-1	4.00000000E+06
3	-	4	3.43866236E+03	1	1	0	0	0	4.00000000E+06
3	-	5	6.18484890E+03	1	2	0	-1	-1	2.00060418E+06
3	-	6	6.39503932E+03	1	2	0	0	0	2.00060418E+06
3	-	7	8.99368721E+03	1	3	0	-1	-1	1.33341156E+06
3	-	8	9.19478236E+03	1	3	0	0	0	1.33341156E+06
3	-	9	1.16444745E+04	1	4	0	-1	-1	1.00000000E+06
3	-	10	1.18363711E+04	1	4	0	0	0	1.00000000E+06
3	-	11	1.41342999E+04	1	5	0	-1	-1	7.97193878E+05
3	-	12	1.43167993E+04	1	5	0	0	0	7.97193878E+05
3	-	13	1.66311358E+04	1	6	0	0	0	4.44444444E+05
4	+	1	1.95510633E+02	1	0	0	1	1	1.69542101E+10
4	+	2	4.88697513E+02	1	0	0	0	0	9.24556213E+09
4	+	3	3.31333314E+03	1	1	0	1	1	4.00000000E+06
4	+	4	3.59486832E+03	1	1	0	0	0	4.00000000E+06
4	+	5	6.27489543E+03	1	2	0	1	1	2.00060418E+06
4	+	6	6.54479176E+03	1	2	0	0	0	2.00060418E+06
4	+	7	9.07984660E+03	1	3	0	1	1	1.33341156E+06
4	+	8	9.33805197E+03	1	3	0	0	0	1.33341156E+06
4	+	9	1.17267023E+04	1	4	0	1	1	1.00000000E+06
4	+	10	1.19730785E+04	1	4	0	0	0	1.00000000E+06
4	+	11	1.42125115E+04	1	5	0	1	1	7.97193878E+05
4	+	12	1.44468048E+04	1	5	0	0	0	7.97193878E+05
4	+	13	1.67541989E+04	1	6	0	0	0	4.44444444E+05
4	-	1	3.26860890E+02	1	0	0	-1	-1	1.18921760E+10
4	-	2	3.43950266E+03	1	1	0	-1	-1	4.00000000E+06
4	-	3	6.39588921E+03	1	2	0	-1	-1	2.00060418E+06
4	-	4	9.19564072E+03	1	3	0	-1	-1	1.33341156E+06
4	-	5	1.18372334E+04	1	4	0	-1	-1	1.00000000E+06
4	-	6	1.43176665E+04	1	5	0	-1	-1	7.97193878E+05
4	-	7	1.66319911E+04	1	6	0	-1	-1	4.44444444E+05
5	+	1	4.89444420E+02	1	0	0	1	1	9.24556213E+09
5	+	2	3.59562927E+03	1	1	0	1	1	4.00000000E+06
5	+	3	6.54556523E+03	1	2	0	1	1	2.00060418E+06
5	+	4	9.33883657E+03	1	3	0	1	1	1.33341156E+06
5	+	5	1.19738720E+04	1	4	0	1	1	1.00000000E+06
5	+	6	1.44476001E+04	1	5	0	1	1	7.97193878E+05
5	+	7	1.67550736E+04	1	6	0	1	1	4.44444444E+05
5	-	1	3.25749413E+02	1	0	0	-1	-1	1.18921760E+10
5	-	2	6.83421098E+02	1	0	0	0	0	2.00060418E+06
5	-	3	3.43840590E+03	1	1	0	-1	-1	4.00000000E+06
5	-	4	3.78184787E+03	1	1	0	0	0	4.00000000E+06
5	-	5	6.39480809E+03	1	2	0	-1	-1	2.00060418E+06
5	-	6	6.72403126E+03	1	2	0	0	0	1.00000000E+06
5	-	7	9.19457675E+03	1	3	0	-1	-1	1.33341156E+06
5	-	8	9.50951660E+03	1	3	0	0	0	1.33341156E+06
5	-	9	1.18361897E+04	1	4	0	-1	-1	1.00000000E+06
5	-	10	1.21366716E+04	1	4	0	0	0	1.00000000E+06
5	-	11	1.43166418E+04	1	5	0	-1	-1	5.02992807E+05
5	-	12	1.46023487E+04	1	5	0	0	0	7.97193878E+05
5	-	13	1.66309982E+04	1	6	0	-1	-1	3.34124094E+05
5	-	14	1.69014238E+04	1	6	0	0	0	4.44444444E+05
6	+	1	4.88266773E+02	1	0	0	1	1	9.24556213E+09
6	+	2	9.09970738E+02	1	0	0	0	0	2.00060418E+06
6	+	3	3.59446917E+03	1	1	0	1	1	4.00000000E+06
6	+	4	3.99936524E+03	1	1	0	0	0	1.33341156E+06
6	+	5	6.54442363E+03	1	2	0	1	1	2.00060418E+06
6	+	6	6.93253116E+03	1	2	0	0	0	2.00060418E+06
6	+	7	9.33771552E+03	1	3	0	1	1	1.33341156E+06
6	+	8	9.70894528E+03	1	3	0	0	0	5.40657439E+05
6	+	9	1.19727727E+04	1	4	0	1	1	1.00000000E+06
6	+	10	1.23269181E+04	1	4	0	0	0	1.00000000E+06
6	+	11	1.44465302E+04	1	5	0	1	1	5.02992807E+05
6	+	12	1.47832022E+04	1	5	0	0	0	7.97193878E+05
6	+	13	1.67539548E+04	1	6	0	1	1	4.44444444E+05
6	+	14	1.70725377E+04	1	6	0	0	0	4.44444444E+05
6	-	1	6.84097887E+02	1	0	0	-1	-1	2.00060418E+06
6	-	2	3.78254058E+03	1	1	0	-1	-1	1.33341156E+06
6	-	3	6.72474012E+03	1	2	0	-1	-1	2.00060418E+06
6	-	4	9.51023824E+03	1	3	0	-1	-1	1.33341156E+06
6	-	5	1.21374026E+04	1	4	0	-1	-1	1.00000000E+06
6	-	6	1.46030896E+04	1	5	0	-1	-1	7.97193878E+05
6	-	7	1.69022191E+04	1	6	0	-1	-1	4.44444444E+05
7	+	1	9.10581803E+02	1	0	0	1	1	3.81039476E+05
7	+	2	3.99999749E+03	1	1	0	1	1	1.33341156E+06
7	+	3	6.93317889E+03	1	2	0	1	1	1.00000000E+06
7	+	4	9.70961028E+03	1	3	0	1	1	1.33341156E+06
7	+	5	1.23275940E+04	1	4	0	1	1	1.00000000E+06
7	+	6	1.47838928E+04	1	5	0	1	1	7.97193878E+05
7	+	7	1.70732786E+04	1	6	0	1	1	4.44444444E+05
7	-	1	6.82858202E+02	1	0	0	-1	-1	2.00060418E+06
7	-	2	1.16805641E+03	1	0	0	0	0	1.00000000E+06
7	-	3	3.78132151E+03	1	1	0	-1	-1	4.00000000E+06
7	-	4	4.24715320E+03	1	1	0	0	0	1.33341156E+06
7	-	5	6.72354314E+03	1	2	0	-1	-1	2.00060418E+06
7	-	6	7.17001130E+03	1	2	0	0	0	4.75624257E+05
7	-	7	9.50906423E+03	1	3	0	-1	-1	1.33341156E+06
7	-	8	9.93607086E+03	1	3	0	0	0	1.33341156E+06
7	-	9	1.21362558E+04	1	4	0	-1	-1	1.00000000E+06
7	-	10	1.25435453E+04	1	4	0	0	0	4.75624257E+05
7	-	11	1.46019708E+04	1	5	0	-1	-1	7.97193878E+05
7	-	12	1.49890876E+04	1	5	0	0	0	7.97193878E+05
7	-	13	1.69011492E+04	1	6	0	-1	-1	3.34124094E+05
7	-	14	1.72672502E+04	1	6	0	0	0	4.44444444E+05
8	+	1	9.09279986E+02	1	0	0	1	1	2.00060418E+06
8	+	2	1.45737676E+03	1	0	0	0	0	2.62984878E+05
8	+	3	3.99872229E+03	1	1	0	1	1	1.33341156E+06
8	+	4	4.52488421E+03	1	1	0	0	0	4.27186125E+05
8	+	5	6.93192734E+03	1	2	0	1	1	2.00060418E+06
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26	-	1	3.96309392E+04	3	0	-1	-1	-2	3.21167508E+04
26	-	2	4.03779698E+04	3	0	-1	0	-1	4.37667408E+04
26	-	3	4.11117422E+04	3	0	-1	1	0	4.11439669E+04
27	+	1	4.03599734E+04	3	0	1	1	2	3.06709892E+04
27	+	2	4.11264499E+04	3	0	1	0	1	4.14798346E+04
27	+	3	4.18771745E+04	3	0	1	-1	0	3.89030885E+04
27	-	1	4.03764657E+04	3	0	-1	-1	-2	3.21167508E+04
27	-	2	4.11087859E+04	3	0	-1	0	-1	3.92118420E+04
27	-	3	4.18926489E+04	3	0	-1	1	0	4.11439669E+04
28	+	1	4.11250558E+04	3	0	1	1	2	3.06709892E+04
28	+	2	4.18742938E+04	3	0	1	0	1	3.74126881E+04
28	+	3	4.26755076E+04	3	0	1	-1	0	3.89030885E+04
28	-	1	4.11077678E+04	3	0	-1	-1	-2	2.96242753E+04
28	-	2	4.18926791E+04	3	0	-1	0	-1	3.92118420E+04
29	+	1	4.18733426E+04	3	0	1	1	2	2.83417792E+04
29	+	2	4.26756117E+04	3	0	1	0	1	3.74126881E+04
29	-	1	4.18913803E+04	3	0	-1	-1	-2	2.84374476E+04
29	-	2	4.26565439E+04	3	0	-1	0	-1	3.55998576E+04
29	-	3	4.34739836E+04	3	0	-1	1	0	2.30966085E+04
30	+	1	4.26744061E+04	3	0	1	1	2	2.83417792E+04
30	+	2	4.42869648E+04	3	0	1	-1	0	3.52002366E+04
30	-	1	4.26556576E+04	3	0	-1	-1	-2	2.73205382E+04
30	-	2	4.34741424E+04	3	0	-1	0	-1	3.55998576E+04
31	+	1	4.34536054E+04	3	0	1	1	2	2.64392888E+04
31	+	2	4.42871814E+04	3	0	1	0	1	3.40409308E+04
31	-	1	4.34730428E+04	3	0	-1	-1	-2	2.73205382E+04
31	-	2	4.51132746E+04	3	0	-1	1	0	1.96156894E+04
32	+	1	4.42861648E+04	3	0	1	1	2	1.12454442E+04
32	+	2	4.59516885E+04	3	0	1	-1	0	3.22321748E+04
33	-	1	4.51126301E+04	3	0	-1	-1	-2	8.89996440E+03
end

(############################################################### AB INITIO POTENTIAL ENERGY CURVES)

abinitio poten 1
name           "X3Sigma-"
symmetry       -
lambda         0
mult           3
units          angstrom cm-1
type           grid
fit_factor     0
values
0.6	89309.73851	1
0.61	82643.65968	1
0.62	76415.72024	1
0.63	70597.935	1
0.64	65164.2545	1
0.65	60090.42022	1
0.66	55353.83066	1
0.67	50933.40308	1
0.68	46809.47695	1
0.69	42963.69541	1
0.7	39378.91091	1
0.71	36039.10399	1
0.72	32929.29112	1
0.73	30035.46544	1
0.74	27344.50673	1
0.75	24844.142	1
0.76	22522.86856	1
0.77	20369.91241	1
0.78	18375.17113	1
0.79	16529.1744	1
0.8	14823.03568	1
0.81	13248.41932	1
0.82	11797.49887	1
0.83	10462.91973	1
0.84	9237.775024	1
0.85	8115.577092	1
0.86	7090.215756	1
0.87	6155.951756	1
0.88	5307.377236	1
0.89	4539.404774	1
0.9	3847.241045	1
0.91	3226.371455	1
0.92	2672.542586	1
0.93	2181.742442	1
0.94	1750.189474	1
0.95	1374.32161	1
0.96	1050.772108	1
0.97	776.3673663	1
0.98	548.1137496	1
0.99	363.18662	1
1	218.9105816	1
1.01	112.7704551	1
1.02	42.38494081	1
1.03	5.502229008	1
1.04	0	        1
1.05	23.87225566	1
1.06	75.21615092	1
1.07	152.2429675	1
1.08	253.2561666	1
1.09	376.6491939	1
1.1	520.9076743	1
1.11	684.5984387	1
1.12	866.3651336	1
1.13	1064.923833	1
1.14	1279.063036	1
1.15	1507.632696	1
1.16	1749.548608	1
1.17	2003.781437	1
1.18	2269.358909	1
1.19	2545.363622	1
1.2	2830.922064	1
1.21	3125.213403	1
1.22	3427.458502	1
1.23	3736.915537	1
1.24	4052.89097	1
1.25	4374.724179	1
1.26	4701.789665	1
1.27	5033.497038	1
1.28	5369.28664	1
1.29	5708.629536	1
1.3	6051.025324	1
1.31	6395.999939	1
1.32	6743.107848	1
1.33	7091.921074	1
1.34	7442.042369	1
1.35	7793.092042	1
1.36	8144.710154	1
1.37	8496.558715	1
1.38	8848.317291	1
1.39	9199.685202	1
1.4	9550.372742	1
1.41	9900.109956	1
1.42	10248.64226	1
1.43	10595.73041	1
1.44	10941.14178	1
1.45	11284.66347	1
1.46	11626.09357	1
1.47	11965.23894	1
1.48	12301.91961	1
1.49	12635.96658	1
1.5	12967.21745	1
1.51	13295.52297	1
1.52	13620.74048	1
1.53	13942.73829	1
1.54	14261.38912	1
1.55	14576.58103	1
1.56	14888.19989	1
1.57	15196.14474	1
1.58	15500.32122	1
1.59	15800.64153	1
1.6	16097.02007	1
1.61	16389.38442	1
1.62	16677.66435	1
1.63	16961.79401	1
1.64	17241.71634	1
1.65	17517.37648	1
1.66	17788.72833	1
1.67	18055.72581	1
1.68	18318.33598	1
1.69	18576.51935	1
1.7	18830.25178	1
1.71	19079.50692	1
1.72	19324.26723	1
1.73	19564.51513	1
1.74	19800.23967	1
1.75	20031.43644	1
1.76	20258.09886	1
1.77	20480.23133	1
1.78	20697.83604	1
1.79	20910.92615	1
1.8	21119.50826	1
1.81	21323.60211	1
1.82	21523.22745	1
1.83	21718.40624	1
1.84	21909.16481	1
1.85	22095.53389	1
1.86	22277.5464	1
1.87	22455.23964	1
1.88	22628.65094	1
1.89	22797.82418	1
1.9	22962.80326	1
1.91	23123.63647	1
1.92	23280.37427	1
1.93	23433.06716	1
1.94	23581.77001	1
1.95	23726.54206	1
1.96	23867.44038	1
1.97	24004.52643	1
1.98	24137.86166	1
1.99	24267.51191	1
2	24393.53863	1
2.01	24516.00986	1
2.02	24634.99584	1
2.03	24750.56021	1
2.04	24862.77759	1
2.05	24971.71163	1
2.06	25077.43694	1
2.07	25180.02378	1
2.08	25279.54235	1
2.09	25376.06291	1
2.1	25469.65567	1
2.11	25560.39307	1
2.12	25648.34752	1
2.13	25733.58489	1
2.14	25816.17539	1
2.15	25896.19145	1
2.16	25973.70111	1
2.17	26048.76802	1
2.18	26121.4646	1
2.19	26191.85231	1
2.2	26259.99699	1
2.21	26325.96447	1
2.22	26389.81842	1
2.23	26451.61809	1
2.24	26511.42712	1
2.25	26569.30258	1
2.26	26625.30373	1
2.27	26679.48982	1
2.28	26731.91353	1
2.29	26782.63192	1
2.3	26831.69767	1
2.31	26879.16345	1
2.32	26925.07754	1
2.33	26969.49263	1
2.34	27012.45698	1
2.35	27054.0145	1
2.36	27094.21347	1
2.37	27133.0978	1
2.38	27170.70916	1
2.39	27207.09147	1
2.4	27242.28642	1
2.41	27276.32913	1
2.42	27309.2613	1
2.43	27341.12024	1
2.44	27371.94106	1
2.45	27401.75669	1
2.46	27430.60444	1
2.47	27458.51503	1
2.48	27485.52138	1
2.49	27511.65203	1
2.5	27536.9377	1
2.51	27561.40693	1
2.52	27585.08605	1
2.53	27608.00578	1
2.54	27630.18808	1
2.55	27651.65929	1
2.56	27672.44353	1
2.57	27692.56497	1
2.58	27712.04554	1
2.59	27730.90719	1
2.6	27749.16967	1
2.61	27766.85274	1
2.62	27783.98054	1
2.63	27800.56624	1
2.64	27816.63178	1
2.65	27832.19253	1
2.66	27847.26825	1
2.67	27861.87209	1
2.68	27876.02162	1
2.69	27889.7322	1
2.7	27903.01919	1
2.71	27915.89357	1
2.72	27928.3729	1
2.73	27940.46815	1
2.74	27952.19248	1
2.75	27963.55907	1
2.76	27974.57889	1
2.77	27985.26511	1
2.78	27995.62432	1
2.79	28005.67187	1
2.8	28015.41654	1
2.81	28024.86712	1
2.82	28034.03677	1
2.83	28042.92988	1
2.84	28051.55743	1
2.85	28059.92819	1
2.86	28068.05095	1
2.87	28075.93228	1
2.88	28083.58317	1
2.89	28091.0058	1
2.9	28098.21334	1
2.91	28105.208	1
2.92	28111.99855	1
2.93	28118.59156	1
2.94	28124.99364	1
2.95	28131.20916	1
2.96	28137.24471	1
2.97	28143.10688	1
2.98	28148.80005	1
2.99	28154.33081	1
3	28159.70136	1
3.01	28164.92046	1
3.02	28169.99033	1
3.03	28174.91753	1
3.04	28179.70427	1
3.05	28184.35494	1
3.06	28188.87612	1
3.07	28193.27	1
3.08	28197.54098	1
3.09	28201.69124	1
3.1	28205.72519	1
3.11	28209.64939	1
3.12	28213.46386	1
3.13	28217.17079	1
3.14	28220.77676	1
3.15	28224.28396	1
3.16	28227.6946	1
3.17	28231.01086	1
3.18	28234.23714	1
3.19	28237.37562	1
3.2	28240.42852	1
3.21	28243.39801	1
3.22	28246.28849	1
3.23	28249.09776	1
3.24	28251.83461	1
3.25	28254.49684	1
3.26	28257.08664	1
3.27	28259.6084	1
3.28	28262.06213	1
3.29	28264.45001	1
3.3	28266.77645	1
3.31	28269.03923	1
3.32	28271.24275	1
3.33	28273.38922	1
3.34	28275.47861	1
3.35	28277.51095	1
3.36	28279.49281	1
3.37	28281.42199	1
3.38	28283.30069	1
3.39	28285.13111	1
3.4	28286.91324	1
3.41	28288.64929	1
3.42	28290.34144	1
3.43	28291.98969	1
3.44	28293.59625	1
3.45	28295.1589	1
3.46	28296.68425	1
3.47	28298.1701	1
3.48	28299.61863	1
3.49	28301.02985	1
3.5	28302.40376	1
3.51	28303.74475	1
3.52	28305.05282	1
3.53	28306.32577	1
3.54	28307.568	1
3.55	28308.7795	1
3.56	28309.96027	1
3.57	28311.11032	1
3.58	28312.23403	1
3.59	28313.32921	1
3.6	28314.39586	1
3.61	28315.43836	1
3.62	28316.45233	1
3.63	28317.44436	1
3.64	28318.41005	1
3.65	28319.35379	1
3.66	28320.27339	1
3.67	28321.17104	1
3.68	28322.04894	1
3.69	28322.90269	1
3.7	28323.7367	1
3.71	28324.55095	1
3.72	28325.34545	1
3.73	28326.12019	1
3.74	28326.87738	1
3.75	28327.61701	1
3.76	28328.33908	1
3.77	28329.04359	1
3.78	28329.73055	1
3.79	28330.40214	1
3.8	28331.05837	1
3.81	28331.69924	1
3.82	28332.32474	1
3.83	28332.93488	1
3.84	28333.53185	1
3.85	28334.11346	1
3.86	28334.6819	1
3.87	28335.23936	1
3.88	28335.78146	1
3.89	28336.31259	1
3.9	28336.83275	1
3.91	28337.33754	1
3.92	28337.83355	1
3.93	28338.31859	1
3.94	28338.79046	1
3.95	28339.25355	1
3.96	28339.70567	1
3.97	28340.14681	1
3.98	28340.57918	1
3.99	28341.00057	1
4	28341.41318	1
end

abinitio poten 2
name           "a1Delta"
lambda         2
mult           1
fit_factor     0
units          angstrom cm-1
type           grid
values
0.6	102137.1353	1
0.61	95456.58427	1
0.62	89214.71258	1
0.63	83383.52622	1
0.64	77936.97792	1
0.65	72850.79819	1
0.66	68102.37895	1
0.67	63670.63087	1
0.68	59535.87806	1
0.69	55679.75707	1
0.7	52085.10499	1
0.71	48735.88919	1
0.72	45617.11517	1
0.73	42714.75851	1
0.74	40015.69022	1
0.75	37507.62631	1
0.76	35179.05534	1
0.77	33019.19452	1
0.78	31017.94362	1
0.79	29165.82794	1
0.8	27453.9719	1
0.81	25874.04426	1
0.82	24418.2405	1
0.83	23079.20383	1
0.84	21850.05371	1
0.85	20724.31126	1
0.86	19695.88606	1
0.87	18759.04762	1
0.88	17908.39907	1
0.89	17138.85956	1
0.9	16445.64235	1
0.91	15824.23285	1
0.92	15270.37984	1
0.93	14780.07132	1
0.94	14349.52355	1
0.95	13975.17006	1
0.96	13653.64631	1
0.97	13381.76991	1
0.98	13156.54944	1
0.99	12975.15146	1
1	12834.90278	1
1.01	12733.28383	1
1.02	12667.91112	1
1.03	12636.53502	1
1.04	12637.02665	1
1.05	12667.37999	1
1.06	12725.6944	1
1.07	12810.18116	1
1.08	12919.14153	1
1.09	13050.97336	1
1.1	13204.16446	1
1.11	13377.27946	1
1.12	13568.96641	1
1.13	13777.94577	1
1.14	14002.99725	1
1.15	14242.99276	1
1.16	14496.8415	1
1.17	14763.52074	1
1.18	15042.06038	1
1.19	15331.54742	1
1.2	15631.11274	1
1.21	15939.93988	1
1.22	16257.25411	1
1.23	16582.32237	1
1.24	16914.44894	1
1.25	17252.98417	1
1.26	17597.30475	1
1.27	17946.82469	1
1.28	18300.98871	1
1.29	18659.27665	1
1.3	19021.18812	1
1.31	19386.25784	1
1.32	19754.04026	1
1.33	20124.11838	1
1.34	20496.09496	1
1.35	20869.59469	1
1.36	21244.26422	1
1.37	21619.76776	1
1.38	21995.79145	1
1.39	22372.03462	1
1.4	22748.21413	1
1.41	23124.06664	1
1.42	23499.33533	1
1.43	23873.78759	1
1.44	24247.19734	1
1.45	24619.35388	1
1.46	24990.05531	1
1.47	25359.11508	1
1.48	25726.35539	1
1.49	26091.61166	1
1.5	26454.72366	1
1.51	26815.54654	1
1.52	27173.93983	1
1.53	27529.77624	1
1.54	27882.93068	1
1.55	28233.28901	1
1.56	28580.74368	1
1.57	28925.19814	1
1.58	29266.55362	1
1.59	29604.72672	1
1.6	29939.63623	1
1.61	30271.19875	1
1.62	30599.35722	1
1.63	30924.0414	1
1.64	31245.18985	1
1.65	31562.74989	1
1.66	31876.66885	1
1.67	32186.90282	1
1.68	32493.41012	1
1.69	32796.14903	1
1.7	33095.08885	1
1.71	33390.19882	1
1.72	33681.45263	1
1.73	33968.82394	1
1.74	34252.29298	1
1.75	34531.84221	1
1.76	34807.45845	1
1.77	35079.12854	1
1.78	35346.84369	1
1.79	35610.59953	1
1.8	35870.39165	1
1.81	36126.21786	1
1.82	36378.08037	1
1.83	36625.98135	1
1.84	36869.9296	1
1.85	37109.9295	1
1.86	37345.99422	1
1.87	37578.13692	1
1.88	37806.36859	1
1.89	38030.70678	1
1.9	38251.16905	1
1.91	38467.77734	1
1.92	38680.55141	1
1.93	38889.5176	1
1.94	39094.69565	1
1.95	39296.1163	1
1.96	39493.80808	1
1.97	39687.79731	1
1.98	39878.11693	1
1.99	40064.79547	1
2	40247.87023	1
2.01	40427.37634	1
2.02	40603.34891	1
2.03	40775.81646	1
2.04	40944.8251	1
2.05	41110.40773	1
2.06	41272.60607	1
2.07	41431.46181	1
2.08	41587.01226	1
2.09	41739.29912	1
2.1	41888.36629	1
2.11	42034.25327	1
2.12	42177.00616	1
2.13	42316.66445	1
2.14	42453.27643	1
2.15	42586.88161	1
2.16	42717.52828	1
2.17	42845.25812	1
2.18	42970.11724	1
2.19	43092.15172	1
2.2	43211.40765	1
2.21	43327.92673	1
2.22	43441.75506	1
2.23	43552.9409	1
2.24	43661.52598	1
2.25	43767.55856	1
2.26	43871.08255	1
2.27	43972.14403	1
2.28	44070.78691	1
2.29	44167.05506	1
2.3	44260.9924	1
2.31	44352.6472	1
2.32	44442.05897	1
2.33	44529.276	1
2.34	44614.33558	1
2.35	44697.28602	1
2.36	44778.16901	1
2.37	44857.02405	1
2.38	44933.89504	1
2.39	45008.82368	1
2.4	45081.84947	1
2.41	45153.01412	1
2.42	45222.35932	1
2.43	45289.9202	1
2.44	45355.73845	1
2.45	45419.85357	1
2.46	45482.30069	1
2.47	45543.1193	1
2.48	45602.34673	1
2.49	45660.01808	1
2.5	45716.17066	1
2.51	45770.8374	1
2.52	45824.05561	1
2.53	45875.85821	1
2.54	45926.27811	1
2.55	45975.34825	1
2.56	46023.10154	1
2.57	46069.57091	1
2.58	46114.78707	1
2.59	46158.77857	1
2.6	46201.57831	1
2.61	46243.21485	1
2.62	46283.71669	1
2.63	46323.1102	1
2.64	46361.42827	1
2.65	46398.69506	1
2.66	46434.93691	1
2.67	46470.18015	1
2.68	46504.45111	1
2.69	46537.77394	1
2.7	46570.17498	1
2.71	46601.67398	1
2.72	46632.29947	1
2.73	46662.0734	1
2.74	46691.01552	1
2.75	46719.14778	1
2.76	46746.49432	1
2.77	46773.07489	1
2.78	46798.90925	1
2.79	46824.01715	1
2.8	46848.41834	1
2.81	46872.13476	1
2.82	46895.1796	1
2.83	46917.57479	1
2.84	46939.3357	1
2.85	46960.48208	1
2.86	46981.0293	1
2.87	47000.99271	1
2.88	47020.39207	1
2.89	47039.23836	1
2.9	47057.54693	1
2.91	47075.33755	1
2.92	47092.61898	1
2.93	47109.40879	1
2.94	47125.72014	1
2.95	47141.56402	1
2.96	47156.95797	1
2.97	47171.90858	1
2.98	47186.43341	1
2.99	47200.54343	1
3	47214.24743	1
3.01	47227.56076	1
3.02	47240.49001	1
3.03	47253.05055	1
3.04	47265.25114	1
3.05	47277.10058	1
3.06	47288.60983	1
3.07	47299.78767	1
3.08	47310.64508	1
3.09	47321.19083	1
3.1	47331.43372	1
3.11	47341.38031	1
3.12	47351.04158	1
3.13	47360.42631	1
3.14	47369.5411	1
3.15	47378.39251	1
3.16	47386.98933	1
3.17	47395.33814	1
3.18	47403.44773	1
3.19	47411.32468	1
3.2	47418.97337	1
3.21	47426.40258	1
3.22	47433.61891	1
3.23	47440.62673	1
3.24	47447.43484	1
3.25	47454.04541	1
3.26	47460.46505	1
3.27	47466.7069	1
3.28	47472.7644	1
3.29	47478.64632	1
3.3	47484.35925	1
3.31	47489.90976	1
3.32	47495.30006	1
3.33	47500.53672	1
3.34	47505.62195	1
3.35	47510.56013	1
3.36	47515.35785	1
3.37	47520.01949	1
3.38	47524.54505	1
3.39	47528.94333	1
3.4	47533.2143	1
3.41	47537.36457	1
3.42	47541.39412	1
3.43	47545.30955	1
3.44	47549.11304	1
3.45	47552.809	1
3.46	47556.39741	1
3.47	47559.88486	1
3.48	47563.27355	1
3.49	47566.56567	1
3.5	47569.76341	1
3.51	47572.87117	1
3.52	47575.88895	1
3.53	47578.82332	1
3.54	47581.67211	1
3.55	47584.53625	1
3.56	47587.22481	1
3.57	47589.83656	1
3.58	47592.37369	1
3.59	47594.84058	1
3.6	47597.23944	1
3.61	47599.56807	1
3.62	47601.83085	1
3.63	47604.03218	1
3.64	47606.16986	1
3.65	47608.24829	1
3.66	47610.26965	1
3.67	47612.23395	1
3.68	47614.14118	1
3.69	47615.99794	1
3.7	47617.79982	1
3.71	47619.55343	1
3.72	47621.25874	1
3.73	47622.91578	1
3.74	47624.52672	1
3.75	47626.09377	1
3.76	47627.61692	1
3.77	47629.09618	1
3.78	47630.53813	1
3.79	47631.93838	1
3.8	47633.29912	1
3.81	47634.62256	1
3.82	47635.91087	1
3.83	47637.16407	1
3.84	47638.38216	1
3.85	47639.56732	1
3.86	47640.71956	1
3.87	47641.84108	1
3.88	47642.93186	1
3.89	47643.99193	1
3.9	47645.02565	1
3.91	47646.02865	1
3.92	47647.00531	1
3.93	47647.95783	1
3.94	47648.88182	1
3.95	47649.78167	1
3.96	47650.65957	1
3.97	47651.51113	1
3.98	47652.34074	1
3.99	47653.14841	1
4	47653.93632	1
end

abinitio poten 3
name           "A3Pi"
lambda         1
mult           3
fit_factor     0
units          angstrom cm-1
type           grid
values 
0.6	119558.0263	1
0.61	112868.6107	1
0.62	106619.9683	1
0.63	100783.9578	1
0.64	95334.3786	1
0.65	90246.83374	1
0.66	85498.5769	1
0.67	81068.39587	1
0.68	76936.50282	1
0.69	73084.41138	1
0.7	69494.86428	1
0.71	66151.72135	1
0.72	63039.90029	1
0.73	60145.28229	1
0.74	57454.65719	1
0.75	54955.651	1
0.76	52636.68424	1
0.77	50486.87975	1
0.78	48496.06048	1
0.79	46654.67272	1
0.8	44953.75749	1
0.81	43384.89576	1
0.82	41940.18864	1
0.83	40612.21129	1
0.84	39393.98223	1
0.85	38278.93917	1
0.86	37260.90829	1
0.87	36334.0779	1
0.88	35492.97649	1
0.89	34732.453	1
0.9	34047.65045	1
0.91	33433.99718	1
0.92	32887.18053	1
0.93	32403.13142	1
0.94	31978.01565	1
0.95	31608.21626	1
0.96	31290.31823	1
0.97	31021.09967	1
0.98	30797.52086	1
0.99	30616.70669	1
1	30475.94224	1
1.01	30372.67943	1
1.02	30304.49963	1
1.03	30269.12032	1
1.04	30264.39503	1
1.05	30288.3068	1
1.06	30338.95276	1
1.07	30414.53763	1
1.08	30513.34511	1
1.09	30633.65671	1
1.1	30773.6947	1
1.11	30931.68131	1
1.12	31106.1	1
1.13	31295.78534	1
1.14	31499.73433	1
1.15	31716.92862	1
1.16	31946.31034	1
1.17	32186.826	1
1.18	32437.45725	1
1.19	32697.23401	1
1.2	32965.23887	1
1.21	33240.60053	1
1.22	33522.49374	1
1.23	33810.14158	1
1.24	34102.80223	1
1.25	34399.77774	1
1.26	34700.40092	1
1.27	35004.03968	1
1.28	35310.09486	1
1.29	35617.99363	1
1.3	35927.19388	1
1.31	36237.17985	1
1.32	36547.45991	1
1.33	36857.56879	1
1.34	37167.06533	1
1.35	37475.52375	1
1.36	37782.5534	1
1.37	38087.77019	1
1.38	38390.82295	1
1.39	38691.37151	1
1.4	38989.09543	1
1.41	39283.69184	1
1.42	39574.87542	1
1.43	39862.37402	1
1.44	40145.92646	1
1.45	40425.28694	1
1.46	40700.22501	1
1.47	40970.51899	1
1.48	41235.96478	1
1.49	41496.36704	1
1.5	41751.548	1
1.51	42001.33866	1
1.52	42245.58978	1
1.53	42484.15651	1
1.54	42716.91375	1
1.55	42943.74956	1
1.56	43164.56299	1
1.57	43379.25965	1
1.58	43587.77811	1
1.59	43790.05252	1
1.6	43986.03678	1
1.61	44175.69578	1
1.62	44359.01197	1
1.63	44535.97875	1
1.64	44706.60272	1
1.65	44870.90143	1
1.66	45028.91438	1
1.67	45180.68548	1
1.68	45326.27398	1
1.69	45465.7523	1
1.7	45599.20824	1
1.71	45726.73178	1
1.72	45848.43485	1
1.73	45964.43158	1
1.74	46074.84927	1
1.75	46179.82618	1
1.76	46279.50278	1
1.77	46374.0327	1
1.78	46463.56957	1
1.79	46548.2758	1
1.8	46628.3204	1
1.81	46703.87015	1
1.82	46775.09625	1
1.83	46842.17428	1
1.84	46905.27543	1
1.85	46964.5709	1
1.86	47020.23625	1
1.87	47072.43829	1
1.88	47121.34162	1
1.89	47167.11525	1
1.9	47209.91281	1
1.91	47249.8945	1
1.92	47287.20738	1
1.93	47321.9985	1
1.94	47354.41051	1
1.95	47384.57511	1
1.96	47412.62397	1
1.97	47438.68219	1
1.98	47462.86829	1
1.99	47485.29421	1
2	47506.06748	1
2.01	47525.29346	1
2.02	47543.06652	1
2.03	47559.48103	1
2.04	47574.62258	1
2.05	47588.57458	1
2.06	47601.41604	1
2.07	47613.21939	1
2.08	47624.05266	1
2.09	47633.98169	1
2.1	47643.07013	1
2.11	47651.37286	1
2.12	47658.94473	1
2.13	47665.83624	1
2.14	47672.09785	1
2.15	47677.77127	1
2.16	47682.90258	1
2.17	47687.52472	1
2.18	47691.68157	1
2.19	47695.40166	1
2.2	47698.72232	1
2.21	47701.67206	1
2.22	47704.27722	1
2.23	47706.56634	1
2.24	47708.56356	1
2.25	47710.29302	1
2.26	47711.77447	1
2.27	47713.02987	1
2.28	47714.07676	1
2.29	47714.93491	1
2.3	47715.61747	1
2.31	47716.14421	1
2.32	47716.53268	1
2.33	47716.78069	1
2.34	47716.91237	1
2.35	47716.93652	1
2.36	47716.86409	1
2.37	47716.70607	1
2.38	47716.47123	1
2.39	47716.16616	1
2.4	47715.80183	1
2.41	47715.38483	1
2.42	47714.92174	1
2.43	47714.41914	1
2.44	47713.88143	1
2.45	47713.31738	1
2.46	47712.72699	1
2.47	47712.12124	1
2.48	47711.49793	1
2.49	47710.86585	1
2.5	47710.22498	1
2.51	47709.58192	1
2.52	47708.93886	1
2.53	47708.2958	1
2.54	47707.65932	1
2.55	47707.02943	1
2.56	47706.40612	1
2.57	47705.79598	1
2.58	47705.19682	1
2.59	47704.61302	1
2.6	47704.04238	1
2.61	47703.48931	1
2.62	47702.95159	1
2.63	47702.43363	1
2.64	47701.93323	1
2.65	47701.45478	1
2.66	47700.99388	1
2.67	47700.55493	1
2.68	47700.13573	1
2.69	47699.73848	1
2.7	47699.36318	1
2.71	47699.00763	1
2.72	47698.67403	1
2.73	47698.36018	1
2.74	47698.07048	1
2.75	47697.79833	1
2.76	47697.55032	1
2.77	47697.31987	1
2.78	47697.11137	1
2.79	47696.92482	1
2.8	47696.75582	1
2.81	47696.60439	1
2.82	47696.4749	1
2.83	47696.36296	1
2.84	47696.26859	1
2.85	47696.19177	1
2.86	47696.13252	1
2.87	47696.08862	1
2.88	47696.06228	1
2.89	47696.05131	1
2.9	47696.0535	1
2.91	47696.07326	1
2.92	47696.10398	1
2.93	47696.15007	1
2.94	47696.20933	1
2.95	47696.27956	1
2.96	47696.36296	1
2.97	47696.45734	1
2.98	47696.56269	1
2.99	47696.67681	1
3	47696.80191	1
3.01	47696.93579	1
3.02	47697.08065	1
3.03	47697.23208	1
3.04	47697.39011	1
3.05	47697.55691	1
3.06	47697.73029	1
3.07	47697.91026	1
3.08	47698.09681	1
3.09	47698.28995	1
3.1	47698.48528	1
3.11	47698.6872	1
3.12	47698.89351	1
3.13	47699.1042	1
3.14	47699.31709	1
3.15	47699.53437	1
3.16	47699.75385	1
3.17	47699.97552	1
3.18	47700.20158	1
3.19	47700.42763	1
3.2	47700.65589	1
3.21	47700.88414	1
3.22	47701.11459	1
3.23	47701.34723	1
3.24	47701.57768	1
3.25	47701.81032	1
3.26	47702.04297	1
3.27	47702.27561	1
3.28	47702.50825	1
3.29	47702.7387	1
3.3	47702.97134	1
3.31	47703.1996	1
3.32	47703.43005	1
3.33	47703.6583	1
3.34	47703.88436	1
3.35	47704.11042	1
3.36	47704.33428	1
3.37	47704.55595	1
3.38	47704.77543	1
3.39	47704.9949	1
3.4	47705.21218	1
3.41	47705.42507	1
3.42	47705.63796	1
3.43	47705.84866	1
3.44	47706.05716	1
3.45	47706.26346	1
3.46	47706.46758	1
3.47	47706.66949	1
3.48	47706.86921	1
3.49	47707.06674	1
3.5	47707.26207	1
3.51	47707.45521	1
3.52	47707.64396	1
3.53	47707.83271	1
3.54	47708.01926	1
3.55	47708.20143	1
3.56	47708.38359	1
3.57	47708.56136	1
3.58	47708.73914	1
3.59	47708.91472	1
3.6	47709.08591	1
3.61	47709.2571	1
3.62	47709.4239	1
3.63	47709.5907	1
3.64	47709.75311	1
3.65	47709.91552	1
3.66	47710.07574	1
3.67	47710.23376	1
3.68	47710.38959	1
3.69	47710.54322	1
3.7	47710.69685	1
3.71	47710.84829	1
3.72	47710.99534	1
3.73	47711.14458	1
3.74	47711.28943	1
3.75	47711.43429	1
3.76	47711.57475	1
3.77	47711.71741	1
3.78	47711.85568	1
3.79	47711.99395	1
3.8	47712.13002	1
3.81	47712.2661	1
3.82	47712.39998	1
3.83	47712.53385	1
3.84	47712.66554	1
3.85	47712.79503	1
3.86	47712.92452	1
3.87	47713.05181	1
3.88	47713.17911	1
3.89	47713.30421	1
3.9	47713.42931	1
3.91	47713.55222	1
3.92	47713.67512	1
3.93	47713.79803	1
3.94	47713.91874	1
3.95	47714.03726	1
3.96	47714.15797	1
3.97	47714.27648	1
3.98	47714.3928	1
3.99	47714.50913	1
4	47714.62545	1
end

abinitio poten 4
name           "b1Sigma+"
symmetry       +
lambda         0
mult           1
fit_factor     0 
units          angstrom cm-1
type           grid
values
0.6	110795.3327	1
0.61	104104.7187	1
0.62	97853.09361	1
0.63	92012.45886	1
0.64	86556.76067	1
0.65	81461.73172	1
0.66	76704.75736	1
0.67	72264.75484	1
0.68	68122.04607	1
0.69	64258.26542	1
0.7	60656.25874	1
0.71	57299.99122	1
0.72	54174.47056	1
0.73	51265.67889	1
0.74	48560.48726	1
0.75	46046.61167	1
0.76	43712.54505	1
0.77	41547.50243	1
0.78	39541.3814	1
0.79	37684.70942	1
0.8	35968.60435	1
0.81	34384.73056	1
0.82	32925.26815	1
0.83	31582.87791	1
0.84	30350.66393	1
0.85	29222.15171	1
0.86	28191.23108	1
0.87	27252.17595	1
0.88	26399.58724	1
0.89	25628.3885	1
0.9	24933.78641	1
0.91	24311.27076	1
0.92	23756.58813	1
0.93	23265.72873	1
0.94	22834.911	1
0.95	22460.56629	1
0.96	22139.33005	1
0.97	21868.02429	1
0.98	21643.65318	1
0.99	21463.38331	1
1	21324.54585	1
1.01	21224.61466	1
1.02	21161.20844	1
1.03	21132.07318	1
1.04	21135.08437	1
1.05	21168.22724	1
1.06	21229.60771	1
1.07	21317.4239	1
1.08	21429.98146	1
1.09	21565.67604	1
1.1	21722.98887	1
1.11	21900.4824	1
1.12	22096.80246	1
1.13	22310.66293	1
1.14	22540.84133	1
1.15	22786.20739	1
1.16	23045.66152	1
1.17	23318.18097	1
1.18	23602.7869	1
1.19	23898.56408	1
1.2	24204.63681	1
1.21	24520.18427	1
1.22	24844.42512	1
1.23	25176.62192	1
1.24	25516.07455	1
1.25	25862.1224	1
1.26	26214.13776	1
1.27	26571.53245	1
1.28	26933.7446	1
1.29	27300.2409	1
1.3	27670.52313	1
1.31	28044.11285	1
1.32	28420.56012	1
1.33	28799.43918	1
1.34	29180.35057	1
1.35	29562.90802	1
1.36	29946.7516	1
1.37	30331.5433	1
1.38	30716.95392	1
1.39	31102.68278	1
1.4	31488.44017	1
1.41	31873.94955	1
1.42	32258.95415	1
1.43	32643.20814	1
1.44	33026.47669	1
1.45	33408.55349	1
1.46	33789.22565	1
1.47	34168.29785	1
1.48	34545.58571	1
1.49	34920.92025	1
1.5	35294.13686	1
1.51	35665.07972	1
1.52	36033.60396	1
1.53	36399.57791	1
1.54	36762.86987	1
1.55	37123.36135	1
1.56	37480.94039	1
1.57	37835.49946	1
1.58	38186.9398	1
1.59	38535.17361	1
1.6	38880.10872	1
1.61	39221.6727	1
1.62	39559.78215	1
1.63	39894.37123	1
1.64	40225.37847	1
1.65	40552.74245	1
1.66	40876.40827	1
1.67	41196.32766	1
1.68	41512.45233	1
1.69	41824.74279	1
1.7	42133.16171	1
1.71	42437.67179	1
1.72	42738.24449	1
1.73	43034.85567	1
1.74	43327.47681	1
1.75	43616.08814	1
1.76	43900.67651	1
1.77	44181.22215	1
1.78	44457.71629	1
1.79	44730.15235	1
1.8	44998.51934	1
1.81	45262.81728	1
1.82	45523.04615	1
1.83	45779.20377	1
1.84	46031.29673	1
1.85	46279.33159	1
1.86	46523.31715	1
1.87	46763.26218	1
1.88	46999.18424	1
1.89	47231.0943	1
1.9	47459.00993	1
1.91	47682.95306	1
1.92	47902.94127	1
1.93	48119.00087	1
1.94	48331.15383	1
1.95	48539.42648	1
1.96	48743.84954	1
1.97	48944.44716	1
1.98	49141.25664	1
1.99	49334.30433	1
2	49523.62754	1
2.01	49709.25699	1
2.02	49891.23218	1
2.03	50069.58824	1
2.04	50244.36687	1
2.05	50415.60317	1
2.06	50583.33665	1
2.07	50747.61122	1
2.08	50908.46637	1
2.09	51065.94381	1
2.1	51220.08743	1
2.11	51370.94112	1
2.12	51518.54879	1
2.13	51662.95212	1
2.14	51804.2016	1
2.15	51942.33893	1
2.16	52077.41021	1
2.17	52209.4637	1
2.18	52338.54332	1
2.19	52464.69514	1
2.2	52587.96746	1
2.21	52708.40855	1
2.22	52826.06232	1
2.23	52940.97484	1
2.24	53053.19661	1
2.25	53162.77371	1
2.26	53269.75223	1
2.27	53374.17607	1
2.28	53476.09789	1
2.29	53575.55721	1
2.3	53672.6045	1
2.31	53767.28586	1
2.32	53859.64298	1
2.33	53949.72634	1
2.34	54037.57545	1
2.35	54123.24079	1
2.36	54206.76186	1
2.37	54288.18256	1
2.38	54367.55117	1
2.39	54444.905	1
2.4	54520.29015	1
2.41	54593.74611	1
2.42	54665.31679	1
2.43	54735.04169	1
2.44	54802.9625	1
2.45	54869.11874	1
2.46	54933.54991	1
2.47	54996.29331	1
2.48	55057.39066	1
2.49	55116.87487	1
2.5	55174.78984	1
2.51	55231.16629	1
2.52	55286.04811	1
2.53	55339.45946	1
2.54	55391.43983	1
2.55	55442.02434	1
2.56	55491.24811	1
2.57	55539.14187	1
2.58	55585.73853	1
2.59	55631.07101	1
2.6	55675.17005	1
2.61	55718.06637	1
2.62	55759.78849	1
2.63	55800.36935	1
2.64	55839.83309	1
2.65	55878.21262	1
2.66	55915.53208	1
2.67	55951.82002	1
2.68	55987.10276	1
2.69	56021.40664	1
2.7	56054.75801	1
2.71	56087.1788	1
2.72	56118.69755	1
2.73	56149.33402	1
2.74	56179.11233	1
2.75	56208.05665	1
2.76	56236.18891	1
2.77	56263.52886	1
2.78	56290.10066	1
2.79	56315.92404	1
2.8	56341.01658	1
2.81	56365.40021	1
2.82	56389.09469	1
2.83	56412.11758	1
2.84	56434.48643	1
2.85	56456.221	1
2.86	56477.33885	1
2.87	56497.85315	1
2.88	56517.78583	1
2.89	56537.15008	1
2.9	56555.96125	1
2.91	56574.23471	1
2.92	56591.98801	1
2.93	56609.23213	1
2.94	56625.98244	1
2.95	56642.25429	1
2.96	56658.05865	1
2.97	56673.4109	1
2.98	56688.32421	1
2.99	56702.80734	1
3	56716.87347	1
3.01	56730.53796	1
3.02	56743.80739	1
3.03	56756.69714	1
3.04	56769.21597	1
3.05	56781.37267	1
3.06	56793.1826	1
3.07	56804.65015	1
3.08	56815.78629	1
3.09	56826.6042	1
3.1	56837.10825	1
3.11	56847.31163	1
3.12	56857.21871	1
3.13	56866.84048	1
3.14	56876.18571	1
3.15	56885.26099	1
3.16	56894.07509	1
3.17	56902.6346	1
3.18	56910.9483	1
3.19	56919.02058	1
3.2	56926.86021	1
3.21	56934.47378	1
3.22	56941.86788	1
3.23	56949.04909	1
3.24	56956.024	1
3.25	56962.79699	1
3.26	56969.37464	1
3.27	56975.76135	1
3.28	56981.9659	1
3.29	56987.99267	1
3.3	56993.84387	1
3.31	56999.52826	1
3.32	57005.04805	1
3.33	57010.40981	1
3.34	57015.61794	1
3.35	57020.67464	1
3.36	57025.58868	1
3.37	57030.36006	1
3.38	57034.99536	1
3.39	57039.49678	1
3.4	57043.86872	1
3.41	57048.11555	1
3.42	57052.24168	1
3.43	57056.24928	1
3.44	57060.14276	1
3.45	57063.92431	1
3.46	57067.59832	1
3.47	57071.16697	1
3.48	57074.63248	1
3.49	57078.00141	1
3.5	57081.27378	1
3.51	57084.45397	1
3.52	57087.54198	1
3.53	57090.54219	1
3.54	57093.45901	1
3.55	57096.39778	1
3.56	57099.1456	1
3.57	57101.8188	1
3.58	57104.41519	1
3.59	57106.93695	1
3.6	57109.38848	1
3.61	57111.76978	1
3.62	57114.08524	1
3.63	57116.33485	1
3.64	57118.52302	1
3.65	57120.64753	1
3.66	57122.71279	1
3.67	57124.72098	1
3.68	57126.67211	1
3.69	57128.57056	1
3.7	57130.41415	1
3.71	57132.20726	1
3.72	57133.94989	1
3.73	57135.64204	1
3.74	57137.29029	1
3.75	57138.89026	1
3.76	57140.44853	1
3.77	57141.96071	1
3.78	57143.43339	1
3.79	57144.86436	1
3.8	57146.25583	1
3.81	57147.60999	1
3.82	57148.92684	1
3.83	57150.20637	1
3.84	57151.45079	1
3.85	57152.66229	1
3.86	57153.84087	1
3.87	57154.98653	1
3.88	57156.10146	1
3.89	57157.18567	1
3.9	57158.23914	1
3.91	57159.26629	1
3.92	57160.2649	1
3.93	57161.23497	1
3.94	57162.18091	1
3.95	57163.10051	1
3.96	57163.99596	1
3.97	57164.86728	1
3.98	57165.71445	1
3.99	57166.53968	1
4	57167.34295	1
end

abinitio poten 5
name           "c1Pi"
lambda         1
mult           1
fit_factor     0
type           grid
units          angstrom cm-1
values
0.6	139607.8306	1
0.61	132806.6278	1
0.62	126445.5463	1
0.63	120496.4384	1
0.64	114933.0989	1
0.65	109731.1287	1
0.66	104867.7816	1
0.67	100321.854	1
0.68	96073.55599	1
0.69	92104.41873	1
0.7	88397.18055	1
0.71	84935.71007	1
0.72	81704.92278	1
0.73	78690.6999	1
0.74	75879.82025	1
0.75	73259.9033	1
0.76	70819.34101	1
0.77	68547.25403	1
0.78	66433.42801	1
0.79	64468.2763	1
0.8	62642.79606	1
0.81	60948.52433	1
0.82	59377.51394	1
0.83	57922.28301	1
0.84	56575.80834	1
0.85	55331.47278	1
0.86	54183.06518	1
0.87	53124.73437	1
0.88	52150.98249	1
0.89	51256.62995	1
0.9	50436.80881	1
0.91	49686.92983	1
0.92	49002.67597	1
0.93	48379.97377	1
0.94	47814.989	1
0.95	47304.10693	1
0.96	46843.91691	1
0.97	46431.20365	1
0.98	46062.93399	1
0.99	45736.24381	1
1	45448.43356	1
1.01	45196.95294	1
1.02	44979.39432	1
1.03	44793.48395	1
1.04	44637.07974	1
1.05	44508.15156	1
1.06	44404.7856	1
1.07	44325.17556	1
1.08	44267.60737	1
1.09	44230.46787	1
1.1	44212.21855	1
1.11	44211.42845	1
1.12	44226.72363	1
1.13	44256.80702	1
1.14	44300.45613	1
1.15	44356.50557	1
1.16	44423.86014	1
1.17	44501.47734	1
1.18	44588.37612	1
1.19	44683.62153	1
1.2	44786.33346	1
1.21	44895.68231	1
1.22	45010.87796	1
1.23	45131.18078	1
1.24	45255.89724	1
1.25	45384.36891	1
1.26	45515.99004	1
1.27	45650.19439	1
1.28	45786.464	1
1.29	45924.33137	1
1.3	46063.37733	1
1.31	46203.21779	1
1.32	46343.44013	1
1.33	46483.47592	1
1.34	46622.41872	1
1.35	46759.14483	1
1.36	46892.95193	1
1.37	47023.90806	1
1.38	47152.41045	1
1.39	47278.65446	1
1.4	47402.55227	1
1.41	47523.88224	1
1.42	47642.38098	1
1.43	47757.80928	1
1.44	47869.94764	1
1.45	47978.61173	1
1.46	48083.64351	1
1.47	48184.90252	1
1.48	48282.28122	1
1.49	48375.68304	1
1.5	48465.03116	1
1.51	48550.27072	1
1.52	48631.35781	1
1.53	48708.26392	1
1.54	48780.97806	1
1.55	48849.50023	1
1.56	48913.84361	1
1.57	48974.03234	1
1.58	49030.10371	1
1.59	49082.10603	1
1.6	49130.09855	1
1.61	49174.14711	1
1.62	49214.32853	1
1.63	49250.72839	1
1.64	49283.43889	1
1.65	49312.55879	1
1.66	49338.19562	1
1.67	49360.45912	1
1.68	49379.46782	1
1.69	49395.34023	1
1.7	49408.19925	1
1.71	49418.17437	1
1.72	49425.39289	1
1.73	49429.9843	1
1.74	49432.08028	1
1.75	49431.81252	1
1.76	49429.31271	1
1.77	49424.70813	1
1.78	49418.12828	1
1.79	49409.69826	1
1.8	49399.54317	1
1.81	49387.78152	1
1.82	49374.53403	1
1.83	49359.91044	1
1.84	49344.02047	1
1.85	49326.97388	1
1.86	49308.86722	1
1.87	49289.80146	1
1.88	49269.86878	1
1.89	49249.15476	1
1.9	49227.7472	1
1.91	49205.72073	1
1.92	49183.15654	1
1.93	49160.12049	1
1.94	49136.6806	1
1.95	49112.89832	1
1.96	49088.83732	1
1.97	49064.54587	1
1.98	49040.08103	1
1.99	49015.4889	1
2	48990.81337	1
2.01	48966.09613	1
2.02	48941.37671	1
2.03	48916.6902	1
2.04	48892.06953	1
2.05	48867.54544	1
2.06	48843.14644	1
2.07	48818.89669	1
2.08	48794.82033	1
2.09	48770.94149	1
2.1	48747.27554	1
2.11	48723.84442	1
2.12	48700.66351	1
2.13	48677.74378	1
2.14	48655.10497	1
2.15	48632.75367	1
2.16	48610.70086	1
2.17	48588.95751	1
2.18	48567.5324	1
2.19	48546.43211	1
2.2	48525.66103	1
2.21	48505.22574	1
2.22	48485.13065	1
2.23	48465.38012	1
2.24	48445.97418	1
2.25	48426.9172	1
2.26	48408.21137	1
2.27	48389.85671	1
2.28	48371.85101	1
2.29	48354.19867	1
2.3	48336.89529	1
2.31	48319.94087	1
2.32	48303.33542	1
2.33	48287.07674	1
2.34	48271.16044	1
2.35	48255.58652	1
2.36	48240.35059	1
2.37	48225.45046	1
2.38	48210.88393	1
2.39	48196.64441	1
2.4	48182.73192	1
2.41	48169.13985	1
2.42	48155.86603	1
2.43	48142.90385	1
2.44	48130.25114	1
2.45	48117.9035	1
2.46	48105.85654	1
2.47	48094.10367	1
2.48	48082.6427	1
2.49	48071.46925	1
2.5	48060.57453	1
2.51	48049.95854	1
2.52	48039.6147	1
2.53	48029.53643	1
2.54	48019.72152	1
2.55	48010.1656	1
2.56	48000.85987	1
2.57	47991.81093	1
2.58	47982.99683	1
2.59	47974.41976	1
2.6	47966.07753	1
2.61	47957.96356	1
2.62	47950.07344	1
2.63	47942.4028	1
2.64	47934.94506	1
2.65	47927.698	1
2.66	47920.65506	1
2.67	47913.81404	1
2.68	47907.16835	1
2.69	47900.7136	1
2.7	47894.4476	1
2.71	47888.36376	1
2.72	47882.45989	1
2.73	47876.72941	1
2.74	47871.16792	1
2.75	47865.77324	1
2.76	47860.54096	1
2.77	47855.46671	1
2.78	47850.54609	1
2.79	47845.7769	1
2.8	47841.15257	1
2.81	47836.6731	1
2.82	47832.32969	1
2.83	47828.12456	1
2.84	47824.04891	1
2.85	47820.10276	1
2.86	47816.28171	1
2.87	47812.58137	1
2.88	47808.99954	1
2.89	47805.53403	1
2.9	47802.18046	1
2.91	47798.93443	1
2.92	47795.79375	1
2.93	47792.75622	1
2.94	47789.81965	1
2.95	47786.97965	1
2.96	47784.23402	1
2.97	47781.58057	1
2.98	47779.01492	1
2.99	47776.53485	1
3	47774.14038	1
3.01	47771.82493	1
3.02	47769.59067	1
3.03	47767.43104	1
3.04	47765.34604	1
3.05	47763.33345	1
3.06	47761.3911	1
3.07	47759.51459	1
3.08	47757.70612	1
3.09	47755.95911	1
3.1	47754.27354	1
3.11	47752.64723	1
3.12	47751.08018	1
3.13	47749.568	1
3.14	47748.1085	1
3.15	47746.70386	1
3.16	47745.34751	1
3.17	47744.04163	1
3.18	47742.78185	1
3.19	47741.57035	1
3.2	47740.40055	1
3.21	47739.27464	1
3.22	47738.19044	1
3.23	47737.14574	1
3.24	47736.14055	1
3.25	47735.17266	1
3.26	47734.2399	1
3.27	47733.34224	1
3.28	47732.47971	1
3.29	47731.6479	1
3.3	47730.84901	1
3.31	47730.08085	1
3.32	47729.34342	1
3.33	47728.63232	1
3.34	47727.94756	1
3.35	47727.29133	1
3.36	47726.66144	1
3.37	47726.05569	1
3.38	47725.47188	1
3.39	47724.91222	1
3.4	47724.37671	1
3.41	47723.86094	1
3.42	47723.36712	1
3.43	47722.89086	1
3.44	47722.43655	1
3.45	47721.9998	1
3.46	47721.58279	1
3.47	47721.18116	1
3.48	47720.79707	1
3.49	47720.42836	1
3.5	47720.0772	1
3.51	47719.73921	1
3.52	47719.41877	1
3.53	47719.10931	1
3.54	47718.81522	1
3.55	47718.53429	1
3.56	47718.26653	1
3.57	47718.00975	1
3.58	47717.76394	1
3.59	47717.53129	1
3.6	47717.30962	1
3.61	47717.09893	1
3.62	47716.89921	1
3.63	47716.70826	1
3.64	47716.52829	1
3.65	47716.35491	1
3.66	47716.1925	1
3.67	47716.03886	1
3.68	47715.89401	1
3.69	47715.75794	1
3.7	47715.62845	1
3.71	47715.50554	1
3.72	47715.39141	1
3.73	47715.28387	1
3.74	47715.18511	1
3.75	47715.09073	1
3.76	47715.00294	1
3.77	47714.92174	1
3.78	47714.84712	1
3.79	47714.77908	1
3.8	47714.71543	1
3.81	47714.65617	1
3.82	47714.6035	1
3.83	47714.55522	1
3.84	47714.51132	1
3.85	47714.47401	1
3.86	47714.44109	1
3.87	47714.41036	1
3.88	47714.38622	1
3.89	47714.36427	1
3.9	47714.34672	1
3.91	47714.33355	1
3.92	47714.32477	1
3.93	47714.31818	1
3.94	47714.31599	1
3.95	47714.31599	1
3.96	47714.31818	1
3.97	47714.32477	1
3.98	47714.33574	1
3.99	47714.34891	1
4	47714.36427	1
end