mass 57.929856614909 1.007276452321 nstates 3 (Total angular momentum quantum - a value or an interval) jrot 2.5 0.5 - 56.5 (SOLUTIONMETHOD 5POINTDIFFERENCES) MEMORY 8 GB (Defining the integration grid) grid npoints 301 (odd) range 0.75,4.0 type 0 (nsub) end symmetry Cs(M) DIAGONALIZER SYEV (SYEVR) end CONTRACTION vmax 40 END PRINT_PECS_AND_COUPLINGS_TO_FILE poten X name "X2Delta" mult 2 lambda 2 type EMO values VE 0.00000000000000E+00 RE 1.45980516859922e+00 fit ( 1.45980516859922e+00) DE 2.81011257273137e+04 fit ( 2.81011257273137e+04) RREF -1.00000000000000E+00 PL 6.00000000000000E+00 PR 6.00000000000000E+00 NL 3.00000000000000E+00 NR 5.00000000000000E+00 B0 1.44386308076930e+00 fit ( 1.44386308076930e+00) B1 -3.84728788990018e-02 fit ( -3.84728788990018e-02) B2 1.31501731358195e-02 fit ( 1.31501731358195e-02) B3 -1.15256139013250e-02 fit ( -1.15256139013250e-02) B4 0.00000000000000E+00 B5 0.00000000000000E+00 end abinitio poten X name "X2Delta" mult 2 lambda 2 type grid fit_factor 1e-6 weighting ps1997 0.001 12000.0 units angstroms cm-1 values 0.7500 57428.7058 0.7575 56216.1394 0.7650 55004.6547 0.7725 53795.3333 0.7800 52589.2568 0.7875 51387.5067 0.7950 50191.1649 0.8025 49001.3128 0.8100 47819.0322 0.8175 46645.4047 0.8250 45481.5118 0.8325 44328.4353 0.8400 43187.2567 0.8475 42059.0577 0.8550 40944.9199 0.8625 39845.9250 0.8700 38763.1546 0.8775 37697.6903 0.8850 36650.6138 0.8925 35623.0020 0.9000 34615.3706 0.9075 33627.1476 0.9150 32657.6360 0.9225 31706.1388 0.9300 30771.9592 0.9375 29854.4003 0.9450 28952.7652 0.9525 28066.3569 0.9600 27194.4786 0.9675 26336.4334 0.9750 25491.5243 0.9825 24659.0545 0.9900 23838.3270 0.9975 23028.6449 1.0050 22229.3114 1.0125 21439.6295 1.0200 20658.9023 1.0275 19886.4330 1.0350 19121.5246 1.0425 18363.4801 1.0500 17611.8269 1.0575 16867.4184 1.0650 16131.5942 1.0725 15405.6946 1.0800 14691.0601 1.0875 13989.0309 1.0950 13300.9474 1.1025 12628.1499 1.1100 11971.9789 1.1175 11333.7745 1.1250 10714.8773 1.1325 10116.6274 1.1400 9540.3654 1.1475 8987.2310 1.1550 8457.0034 1.1625 7948.8960 1.1700 7462.1203 1.1775 6995.8878 1.1850 6549.4101 1.1925 6121.9007 1.2000 5712.7108 1.2075 5321.4227 1.2150 4947.6403 1.2225 4590.9676 1.2300 4251.0087 1.2375 3927.3676 1.2450 3619.6483 1.2525 3327.4549 1.2600 3050.3912 1.2675 2788.0624 1.2750 2540.0933 1.2825 2306.1273 1.2900 2085.8088 1.2975 1878.7820 1.3050 1684.6912 1.3125 1503.1806 1.3200 1333.8946 1.3275 1176.4774 1.3350 1030.5733 1.3425 895.8266 1.3500 771.8814 1.3575 658.3822 1.3650 554.9747 1.3725 461.3456 1.3800 377.2249 1.3875 302.3444 1.3950 236.4362 1.4025 179.2320 1.4100 130.4639 1.4175 89.8637 1.4250 57.1634 1.4325 32.0950 1.4400 14.3903 1.4475 3.7814 1.4550 0.0000 1.4625 2.7794 1.4700 11.8903 1.4775 27.1479 1.4850 48.3702 1.4925 75.3750 1.5000 107.9800 1.5075 146.0031 1.5150 189.2622 1.5225 237.5751 1.5300 290.7597 1.5375 348.6337 1.5450 411.0150 1.5525 477.7215 1.5600 548.5715 1.5675 623.4056 1.5750 702.0940 1.5825 784.5087 1.5900 870.5218 1.5975 960.0054 1.6050 1052.8318 1.6125 1148.8729 1.6200 1248.0009 1.6275 1350.0880 1.6350 1455.0061 1.6425 1562.6275 1.6500 1672.8242 1.6575 1785.4685 1.6650 1900.4323 1.6725 2017.5995 1.6800 2136.8867 1.6875 2258.2157 1.6950 2381.5084 1.7025 2506.6868 1.7100 2633.6728 1.7175 2762.3883 1.7250 2892.7554 1.7325 3024.6958 1.7400 3158.1316 1.7475 3292.9847 1.7550 3429.1770 1.7625 3566.6305 1.7700 3705.2671 1.7775 3845.0087 1.7850 3985.7813 1.7925 4127.5248 1.8000 4270.1825 1.8075 4413.6973 1.8150 4558.0124 1.8225 4703.0708 1.8300 4848.8157 1.8375 4995.1901 1.8450 5142.1371 1.8525 5289.5999 1.8600 5437.5215 1.8675 5585.8450 1.8750 5734.5135 1.8825 5883.4720 1.8900 6032.6737 1.8975 6182.0733 1.9050 6331.6260 1.9125 6481.2867 1.9200 6631.0103 1.9275 6780.7518 1.9350 6930.4662 1.9425 7080.1086 1.9500 7229.6337 1.9575 7378.9967 1.9650 7528.1524 1.9725 7677.0560 1.9800 7825.6766 1.9875 7974.0492 1.9950 8122.2273 2.0025 8270.2642 2.0100 8418.2133 2.0175 8566.1282 2.0250 8714.0623 2.0325 8862.0690 2.0400 9010.2017 2.0475 9158.5139 2.0550 9307.0590 2.0625 9455.8904 2.0700 9605.0617 2.0775 9754.6145 2.0850 9904.5307 2.0925 10054.7723 2.1000 10205.3014 2.1075 10356.0803 2.1150 10507.0710 2.1225 10658.2357 2.1300 10809.5365 2.1375 10960.9357 2.1450 11112.3952 2.1525 11263.8773 2.1600 11415.3441 2.1675 11566.7577 2.1750 11718.0804 2.1825 11869.2741 2.1900 12020.3012 2.1975 12171.1236 2.2050 12321.7036 2.2125 12472.0033 2.2200 12621.9848 2.2275 12771.6103 2.2350 12920.8363 2.2425 13069.6040 2.2500 13217.8517 2.2575 13365.5180 2.2650 13512.5413 2.2725 13658.8601 2.2800 13804.4129 2.2875 13949.1381 2.2950 14092.9742 2.3025 14235.8597 2.3100 14377.7330 2.3175 14518.5326 2.3250 14658.1970 2.3325 14796.6647 2.3400 14933.8740 2.3475 15069.7636 2.3550 15204.2717 2.3625 15337.3370 2.3700 15468.8979 2.3775 15598.8929 2.3850 15727.2603 2.3925 15853.9388 2.4000 15978.8667 2.4075 16101.9825 2.4150 16223.2250 2.4225 16342.5645 2.4300 16460.0306 2.4375 16575.6596 2.4450 16689.4877 2.4525 16801.5511 2.4600 16911.8861 2.4675 17020.5288 2.4750 17127.5154 2.4825 17232.8823 2.4900 17336.6657 2.4975 17438.9017 2.5050 17539.6266 2.5125 17638.8767 2.5200 17736.6880 2.5275 17833.0970 2.5350 17928.1397 2.5425 18021.8525 2.5500 18114.2715 2.5575 18205.4330 2.5650 18295.3732 2.5725 18384.1283 2.5800 18471.7345 2.5875 18558.2282 2.5950 18643.6454 2.6025 18728.0225 2.6100 18811.3956 2.6175 18893.8010 2.6250 18975.2750 2.6325 19055.8536 2.6400 19135.5732 2.6475 19214.4700 2.6550 19292.5802 2.6625 19369.9391 2.6700 19446.5706 2.6775 19522.4910 2.6850 19597.7165 2.6925 19672.2632 2.7000 19746.1473 2.7075 19819.3850 2.7150 19891.9924 2.7225 19963.9857 2.7300 20035.3810 2.7375 20106.1945 2.7450 20176.4424 2.7525 20246.1408 2.7600 20315.3059 2.7675 20383.9538 2.7750 20452.1007 2.7825 20519.7628 2.7900 20586.9563 2.7975 20653.6972 2.8050 20720.0018 2.8125 20785.8862 2.8200 20851.3665 2.8275 20916.4590 2.8350 20981.1798 2.8425 21045.5450 2.8500 21109.5709 2.8575 21173.2735 2.8650 21236.6691 2.8725 21299.7738 2.8800 21362.6037 2.8875 21425.1751 2.8950 21487.5040 2.9025 21549.6067 2.9100 21611.4993 2.9175 21673.1980 2.9250 21734.7189 2.9325 21796.0782 2.9400 21857.2920 2.9475 21918.3765 2.9550 21979.3479 2.9625 22040.2224 2.9700 22101.0160 2.9775 22161.7450 2.9850 22222.4256 2.9925 22283.0737 3.0000 22343.7058 end poten W name "W2Pi" mult 2 lambda 1 type EMO values VE 2.20605349642268e+03 fit ( 2.20605349642268e+03) RE 1.51225909974988e+00 fit ( 1.51225909974988e+00) DE 2.81011257273137e+04 link ( 2.81269418511076e+04) RREF -1.00000000000000E+00 PL 6.00000000000000E+00 PR 6.00000000000000E+00 NL 3.00000000000000E+00 NR 5.00000000000000E+00 B0 1.41824786609993e+00 fit ( 1.41824786609993e+00) B1 -4.34905844776461e-02 fit ( -4.34905844776461e-02) B2 1.28038178180992e-02 fit ( 1.28038178180992e-02) B3 0.00000000000000E+00 B4 0.00000000000000E+00 B5 0.00000000000000E+00 end abinitio poten W name "W2Pi" mult 2 lambda 1 type grid units angstroms cm-1 values 0.7500 58328.7058 0.7575 57134.0164 0.7650 55940.3308 0.7725 54748.6530 0.7800 53559.9869 0.7875 52375.3362 0.7950 51195.7048 0.8025 50022.0967 0.8100 48855.5156 0.8175 47696.9655 0.8250 46547.4503 0.8325 45407.9737 0.8400 44279.5397 0.8475 43163.1522 0.8550 42059.8150 0.8625 40970.5319 0.8700 39896.3069 0.8775 38838.1438 0.8850 37797.0465 0.8925 36774.0164 0.9000 35769.7538 0.9075 34784.3756 0.9150 33817.9319 0.9225 32870.4726 0.9300 31942.0478 0.9375 31032.7075 0.9450 30142.5017 0.9525 29271.4804 0.9600 28419.6935 0.9675 27587.1912 0.9750 26774.0234 0.9825 25980.2402 0.9900 25205.8915 0.9975 24451.0226 1.0050 23715.4855 1.0125 22998.8758 1.0200 22300.7714 1.0275 21620.7500 1.0350 20958.3896 1.0425 20313.2682 1.0500 19684.9634 1.0575 19073.0533 1.0650 18477.1157 1.0725 17896.7285 1.0800 17331.4695 1.0875 16780.9167 1.0950 16244.6479 1.1025 15722.2409 1.1100 15213.2737 1.1175 14717.3242 1.1250 14233.9099 1.1325 13762.3638 1.1400 13301.9830 1.1475 12852.0649 1.1550 12411.9066 1.1625 11980.8054 1.1700 11558.0587 1.1775 11142.9637 1.1850 10734.8176 1.1925 10332.9177 1.2000 9936.5613 1.2075 9545.0456 1.2150 9157.6680 1.2225 8774.1036 1.2300 8395.3530 1.2375 8022.7070 1.2450 7657.4562 1.2525 7300.8915 1.2600 6954.3037 1.2675 6618.9835 1.2750 6296.2216 1.2825 5987.3090 1.2900 5693.5309 1.2975 5415.5896 1.3050 5153.0893 1.3125 4905.5128 1.3200 4672.3429 1.3275 4453.0625 1.3350 4247.1542 1.3425 4054.1009 1.3500 3873.3854 1.3575 3704.4904 1.3650 3546.8988 1.3725 3400.0934 1.3800 3263.5569 1.3875 3136.7726 1.3950 3019.3133 1.4025 2910.9404 1.4100 2811.4399 1.4175 2720.5975 1.4250 2638.1989 1.4325 2564.0299 1.4400 2497.8763 1.4475 2439.5238 1.4550 2388.7583 1.4625 2345.3653 1.4700 2309.1309 1.4775 2279.8406 1.4850 2257.2803 1.4925 2241.2357 1.5000 2231.4926 1.5075 2227.8368 1.5150 2230.0596 1.5225 2237.9817 1.5300 2251.4331 1.5375 2270.2439 1.5450 2294.2441 1.5525 2323.2638 1.5600 2357.1332 1.5675 2395.6822 1.5750 2438.7409 1.5825 2486.1394 1.5900 2537.7077 1.5975 2593.2759 1.6050 2652.6742 1.6125 2715.7325 1.6200 2782.2809 1.6275 2852.1494 1.6350 2925.1721 1.6425 3001.2387 1.6500 3080.2810 1.6575 3162.2316 1.6650 3247.0233 1.6725 3334.5890 1.6800 3424.8612 1.6875 3517.7728 1.6950 3613.2566 1.7025 3711.2452 1.7100 3811.6714 1.7175 3914.4680 1.7250 4019.5678 1.7325 4126.9033 1.7400 4236.4075 1.7475 4348.0131 1.7550 4461.6523 1.7625 4577.2212 1.7700 4694.5555 1.7775 4813.4852 1.7850 4933.8402 1.7925 5055.4506 1.8000 5178.1461 1.8075 5301.7569 1.8150 5426.1128 1.8225 5551.0437 1.8300 5676.3798 1.8375 5801.9508 1.8450 5927.5868 1.8525 6053.1187 1.8600 6178.4846 1.8675 6303.8241 1.8750 6429.2993 1.8825 6555.0723 1.8900 6681.3051 1.8975 6808.1596 1.9050 6935.7980 1.9125 7064.3823 1.9200 7194.0744 1.9275 7325.0365 1.9350 7457.4306 1.9425 7591.4186 1.9500 7727.1627 1.9575 7864.8248 1.9650 8004.5670 1.9725 8146.5514 1.9800 8290.8840 1.9875 8437.4175 1.9950 8585.9322 2.0025 8736.2084 2.0100 8888.0265 2.0175 9041.1669 2.0250 9195.4100 2.0325 9350.5362 2.0400 9506.3257 2.0475 9662.5590 2.0550 9819.0165 2.0625 9975.4785 2.0700 10131.7254 2.0775 10287.5376 2.0850 10442.6954 2.0925 10597.0096 2.1000 10750.4668 2.1075 10903.1178 2.1150 11055.0131 2.1225 11206.2032 2.1300 11356.7388 2.1375 11506.6704 2.1450 11656.0486 2.1525 11804.9241 2.1600 11953.3473 2.1675 12101.3690 2.1750 12249.0396 2.1825 12396.4098 2.1900 12543.5302 2.1975 12690.4514 2.2050 12837.2238 2.2125 12983.8982 2.2200 13130.5252 2.2275 13277.1552 2.2350 13423.7974 2.2425 13570.3469 2.2500 13716.6792 2.2575 13862.6700 2.2650 14008.1947 2.2725 14153.1288 2.2800 14297.3480 2.2875 14440.7277 2.2950 14583.1435 2.3025 14724.4709 2.3100 14864.5856 2.3175 15003.3629 2.3250 15140.6785 2.3325 15276.4080 2.3400 15410.4268 2.3475 15542.6104 2.3550 15672.8346 2.3625 15800.9747 2.3700 15926.9079 2.3775 16050.5859 2.3850 16172.0632 2.3925 16291.4017 2.4000 16408.6634 2.4075 16523.9105 2.4150 16637.2049 2.4225 16748.6088 2.4300 16858.1840 2.4375 16965.9927 2.4450 17072.0969 2.4525 17176.5585 2.4600 17279.4398 2.4675 17380.8026 2.4750 17480.7090 2.4825 17579.2211 2.4900 17676.4009 2.4975 17772.3104 2.5050 17867.0116 2.5125 17960.5648 2.5200 18053.0053 2.5275 18144.3506 2.5350 18234.6179 2.5425 18323.8243 2.5500 18411.9868 2.5575 18499.1226 2.5650 18585.2488 2.5725 18670.3825 2.5800 18754.5408 2.5875 18837.7409 2.5950 18919.9998 2.6025 19001.3347 2.6100 19081.7626 2.6175 19161.3007 2.6250 19239.9661 2.6325 19317.7759 2.6400 19394.7472 2.6475 19470.8971 2.6550 19546.2428 2.6625 19620.8014 2.6700 19694.5898 2.6775 19767.6254 2.6850 19839.9252 2.6925 19911.5062 2.7000 19982.3857 2.7075 20052.5807 2.7150 20122.1083 2.7225 20190.9856 2.7300 20259.2299 2.7375 20326.8581 2.7450 20393.8873 2.7525 20460.3348 2.7600 20526.2176 2.7675 20591.5528 2.7750 20656.3575 2.7825 20720.6489 2.7900 20784.4440 2.7975 20847.7600 2.8050 20910.6139 2.8125 20973.0230 2.8200 21035.0042 2.8275 21096.5748 2.8350 21157.7518 2.8425 21218.5523 2.8500 21278.9935 2.8575 21339.0924 2.8650 21398.8662 2.8725 21458.3320 2.8800 21517.5069 2.8875 21576.4080 2.8950 21635.0525 2.9025 21693.4573 2.9100 21751.6397 2.9175 21809.6168 2.9250 21867.4056 2.9325 21925.0233 2.9400 21982.4870 2.9475 22039.8138 2.9550 22097.0208 2.9625 22154.1252 2.9700 22211.1440 2.9775 22268.0943 2.9850 22324.9933 2.9925 22381.8581 3.0000 22438.7058 end poten V name "V2Sigma+" mult 2 lambda 0 symmetry + type EMO values VE 1.91280958981546e+03 fit ( 1.91280958981546e+03) RE 1.50277544801721e+00 fit ( 1.50277544801721e+00) DE 2.81011257273137e+04 link ( 2.81269418511076e+04) RREF -1.00000000000000E+00 PL 6.00000000000000E+00 PR 6.00000000000000E+00 NL 3.00000000000000E+00 NR 5.00000000000000E+00 B0 1.39118197714404e+00 fit ( 1.39118197714404e+00) B1 -3.04075738597315e-02 fit ( -3.04075738597315e-02) B2 1.10243599285315e-02 fit ( 1.10243599285315e-02) B3 0.00000000000000E+00 B4 0.00000000000000E+00 B5 0.00000000000000E+00 end abinitio poten V name "V2Sigma+" mult 2 lambda 0 symmetry + type grid values 0.7500 57828.7058 0.7575 56624.9320 0.7650 55422.1350 0.7725 54221.2915 0.7800 53023.3784 0.7875 51829.3724 0.7950 50640.2503 0.8025 49456.9889 0.8100 48280.5650 0.8175 47111.9553 0.8250 45952.1366 0.8325 44802.0857 0.8400 43662.7794 0.8475 42535.1945 0.8550 41420.3077 0.8625 40319.0959 0.8700 39232.5357 0.8775 38161.6040 0.8850 37107.2776 0.8925 36070.5312 0.9000 35052.0926 0.9075 34052.2111 0.9150 33071.0811 0.9225 32108.8969 0.9300 31165.8529 0.9375 30242.1436 0.9450 29337.9632 0.9525 28453.5061 0.9600 27588.9669 0.9675 26744.5397 0.9750 25920.4190 0.9825 25116.7992 0.9900 24333.8747 0.9975 23571.8317 1.0050 22830.5259 1.0125 22109.3745 1.0200 21407.7645 1.0275 20725.0826 1.0350 20060.7158 1.0425 19414.0511 1.0500 18784.4753 1.0575 18171.3753 1.0650 17574.1380 1.0725 16992.1504 1.0800 16424.7993 1.0875 15871.4717 1.0950 15331.5544 1.1025 14804.4344 1.1100 14289.4985 1.1175 13786.1338 1.1250 13293.7956 1.1325 12812.1502 1.1400 12340.9045 1.1475 11879.7650 1.1550 11428.4386 1.1625 10986.6319 1.1700 10554.0517 1.1775 10130.4047 1.1850 9715.3977 1.1925 9308.7373 1.2000 8910.1303 1.2075 8519.2834 1.2150 8135.9034 1.2225 7759.9361 1.2300 7392.1656 1.2375 7033.5598 1.2450 6685.0865 1.2525 6347.7135 1.2600 6022.4085 1.2675 5710.1394 1.2750 5411.8740 1.2825 5128.5801 1.2900 4861.2206 1.2975 4610.2297 1.3050 4375.0458 1.3125 4154.9974 1.3200 3949.4128 1.3275 3757.6205 1.3350 3578.9489 1.3425 3412.7263 1.3500 3258.2812 1.3575 3114.9419 1.3650 2982.0369 1.3725 2858.8945 1.3800 2744.8432 1.3875 2639.2122 1.3950 2541.4894 1.4025 2451.4979 1.4100 2369.1037 1.4175 2294.1728 1.4250 2226.5712 1.4325 2166.1647 1.4400 2112.8195 1.4475 2066.4014 1.4550 2026.7764 1.4625 1993.8104 1.4700 1967.3695 1.4775 1947.3196 1.4850 1933.5267 1.4925 1925.8566 1.5000 1924.1755 1.5075 1928.3492 1.5150 1938.2376 1.5225 1953.6677 1.5300 1974.4566 1.5375 2000.4209 1.5450 2031.3774 1.5525 2067.1430 1.5600 2107.5343 1.5675 2152.3683 1.5750 2201.4616 1.5825 2254.6312 1.5900 2311.6937 1.5975 2372.4659 1.6050 2436.7647 1.6125 2504.4068 1.6200 2575.2090 1.6275 2648.9881 1.6350 2725.5663 1.6425 2804.8422 1.6500 2886.7722 1.6575 2971.3140 1.6650 3058.4254 1.6725 3148.0642 1.6800 3240.1880 1.6875 3334.7546 1.6950 3431.7218 1.7025 3531.0472 1.7100 3632.6886 1.7175 3736.6038 1.7250 3842.7505 1.7325 3951.0865 1.7400 4061.5694 1.7475 4174.1570 1.7550 4288.8064 1.7625 4405.4264 1.7700 4523.8449 1.7775 4643.8824 1.7850 4765.3590 1.7925 4888.0952 1.8000 5011.9112 1.8075 5136.6275 1.8150 5262.0642 1.8225 5388.0419 1.8300 5514.3806 1.8375 5640.9009 1.8450 5767.4231 1.8525 5893.7684 1.8600 6019.8696 1.8675 6145.8695 1.8750 6271.9337 1.8825 6398.2281 1.8900 6524.9185 1.8975 6652.1706 1.9050 6780.1504 1.9125 6909.0235 1.9200 7038.9558 1.9275 7170.1132 1.9350 7302.6613 1.9425 7436.7660 1.9500 7572.5932 1.9575 7710.3085 1.9650 7850.0779 1.9725 7992.0671 1.9800 8136.3858 1.9875 8282.8885 1.9950 8431.3574 2.0025 8581.5744 2.0100 8733.3217 2.0175 8886.3813 2.0250 9040.5353 2.0325 9195.5657 2.0400 9351.2546 2.0475 9507.3840 2.0550 9663.7361 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2.8950 21586.0525 2.9025 21645.1421 2.9100 21703.9999 2.9175 21762.6438 2.9250 21821.0916 2.9325 21879.3611 2.9400 21937.4701 2.9475 21995.4366 2.9550 22053.2782 2.9625 22111.0129 2.9700 22168.6584 2.9775 22226.2327 2.9850 22283.7534 2.9925 22341.2385 3.0000 22398.7058 end spin-orbit X X name "" spin 0.5 0.5 lambda 2 2 type polynom_decay_24 sigma 0.5 0.5 factor 1.00 -2i -2i morphing values RE 1.45980516859922e+00 link ( 1.45164669612004e+00) BETA 8.00000000000000E-02 GAMMA 2.00000000000000E-03 P 8.00000000000000E+00 B0 1.02062104078708e+00 fit ( 1.02062104078708e+00) B1 0.00000000000000E+00 B2 -2.12557315490322e-01 fit ( -2.12557315490322e-01) B3 0.00000000000000E+00 BINF 1.00000000000000E+00 end abinitio spin-orbit X X name "" spin 0.5 0.5 lambda 2 2 sigma 0.5 0.5 type grid factor 1.00 -2i -2i values 0.7500000000 -597.191500000 0.7725000000 -596.481011978 0.7950000000 -595.775970769 0.8175000000 -595.081823184 0.8400000000 -594.404016037 0.8625000000 -593.747996138 0.8850000000 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-727.8457434 2.8425 -728.3969607 2.85 -728.9483523 2.8575 -729.4999098 2.865 -730.051625 2.8725 -730.6034895 2.88 -731.1554952 2.8875 -731.7076336 2.895 -732.2598965 2.9025 -732.8122756 2.91 -733.3647625 2.9175 -733.9173491 2.925 -734.4700269 2.9325 -735.0227877 2.94 -735.5756232 2.9475 -736.1285251 2.955 -736.681485 2.9625 -737.2344948 2.97 -737.787546 2.9775 -738.3406305 2.985 -738.8937398 2.9925 -739.4468658 3 -740 end spin-orbit W X name "" spin 0.5 0.5 lambda 1 2 sigma 0.5 -0.5 factor 1.0 morphing -i -2i type POLYNOM_DECAY_DAMP values RE 1.45980516859922e+00 link ( 1.45164669612004e+00) BETA 8.00000000000000E-02 P 6.00000000000000E+00 S 5.50000000000000E+00 B 2.00000000000000e-02 C 1.00000000000000E+03 B0 1.04396025677641e+00 fit ( 1.04396025677641e+00) B1 0.00000000000000E+00 B2 0.00000000000000E+00 B3 -7.68646156744766e-01 fit ( -7.68646156744766e-01) BINF 1.00000000000000E+00 end abinitio spin-orbit W X name "" spin 0.5 0.5 lambda 1 2 sigma 0.5 -0.5 type grid factor 1 -i -2i values 0.75 -603 0.7575 -602.952095 0.765 -602.904222 0.7725 -602.8564132 0.78 -602.8087005 0.7875 -602.7611162 0.795 -602.7136923 0.8025 -602.6664607 0.81 -602.6194537 0.8175 -602.5727033 0.825 -602.5262415 0.8325 -602.4801005 0.84 -602.4343123 0.8475 -602.3889089 0.855 -602.3439225 0.8625 -602.2993851 0.87 -602.2553288 0.8775 -602.2117857 0.885 -602.1687878 0.8925 -602.1263672 0.9 -602.084556 0.9075 -602.0433862 0.915 -602.00289 0.9225 -601.9630994 0.93 -601.9240465 0.9375 -601.8857633 0.945 -601.8482819 0.9525 -601.8116345 0.96 -601.775853 0.9675 -601.7409695 0.975 -601.7070161 0.9825 -601.674025 0.99 -601.6420281 0.9975 -601.6110575 1.005 -601.5811454 1.0125 -601.5523237 1.02 -601.5246245 1.0275 -601.49808 1.035 -601.4727222 1.0425 -601.4485832 1.05 -601.425695 1.0575 -601.4040897 1.065 -601.3837994 1.0725 -601.3648561 1.08 -601.347292 1.0875 -601.3311391 1.095 -601.3164295 1.1025 -601.3031952 1.11 -601.2914684 1.1175 -601.2812811 1.125 -601.2726653 1.1325 -601.2656532 1.14 -601.2602767 1.1475 -601.2565681 1.155 -601.2545594 1.1625 -601.2542825 1.17 -601.2557697 1.1775 -601.259053 1.185 -601.2641644 1.1925 -601.2711361 1.2 -601.28 1.2075 -601.2907703 1.215 -601.3033893 1.2225 -601.317781 1.23 -601.3338698 1.2375 -601.3515798 1.245 -601.3708353 1.2525 -601.3915605 1.26 -601.4136796 1.2675 -601.4371168 1.275 -601.4617964 1.2825 -601.4876425 1.29 -601.5145794 1.2975 -601.5425313 1.305 -601.5714224 1.3125 -601.601177 1.32 -601.6317192 1.3275 -601.6629733 1.335 -601.6948635 1.3425 -601.727314 1.35 -601.7602491 1.3575 -601.7935929 1.365 -601.8272697 1.3725 -601.8612037 1.38 -601.895319 1.3875 -601.9295401 1.395 -601.9637909 1.4025 -601.9979959 1.41 -602.0320791 1.4175 -602.0659648 1.425 -602.0995773 1.4325 -602.1328407 1.44 -602.1656792 1.4475 -602.1980172 1.455 -602.2297787 1.4625 -602.2608881 1.47 -602.2912695 1.4775 -602.3208472 1.485 -602.3495454 1.4925 -602.3772882 1.5 -602.404 1.5075 -602.4296207 1.515 -602.4541538 1.5225 -602.4776184 1.53 -602.5000337 1.5375 -602.521419 1.545 -602.5417934 1.5525 -602.561176 1.56 -602.5795862 1.5675 -602.5970431 1.575 -602.6135659 1.5825 -602.6291738 1.59 -602.643886 1.5975 -602.6577217 1.605 -602.6707001 1.6125 -602.6828403 1.62 -602.6941617 1.6275 -602.7046833 1.635 -602.7144244 1.6425 -602.7234041 1.65 -602.7316418 1.6575 -602.7391565 1.665 -602.7459674 1.6725 -602.7520938 1.68 -602.7575549 1.6875 -602.7623698 1.695 -602.7665577 1.7025 -602.7701379 1.71 -602.7731295 1.7175 -602.7755518 1.725 -602.7774239 1.7325 -602.778765 1.74 -602.7795943 1.7475 -602.7799311 1.755 -602.7797944 1.7625 -602.7792036 1.77 -602.7781778 1.7775 -602.7767362 1.785 -602.774898 1.7925 -602.7726823 1.8 -602.7701085 1.8075 -602.7671957 1.815 -602.763963 1.8225 -602.7604298 1.83 -602.7566151 1.8375 -602.7525381 1.845 -602.7482182 1.8525 -602.7436744 1.86 -602.738926 1.8675 -602.7339921 1.875 -602.728892 1.8825 -602.7236448 1.89 -602.7182698 1.8975 -602.7127862 1.905 -602.707213 1.9125 -602.7015697 1.92 -602.6958752 1.9275 -602.6901489 1.935 -602.6844099 1.9425 -602.6786774 1.95 -602.6729706 1.9575 -602.6673088 1.965 -602.661711 1.9725 -602.6561966 1.98 -602.6507847 1.9875 -602.6454945 1.995 -602.6403451 2.0025 -602.6353558 2.01 -602.6305379 2.0175 -602.6258911 2.025 -602.6214142 2.0325 -602.6171059 2.04 -602.6129648 2.0475 -602.6089897 2.055 -602.6051793 2.0625 -602.6015323 2.07 -602.5980474 2.0775 -602.5947232 2.085 -602.5915586 2.0925 -602.5885521 2.1 -602.5857025 2.1075 -602.5830086 2.115 -602.5804689 2.1225 -602.5780822 2.13 -602.5758473 2.1375 -602.5737628 2.145 -602.5718273 2.1525 -602.5700398 2.16 -602.5683987 2.1675 -602.5669028 2.175 -602.5655509 2.1825 -602.5643417 2.19 -602.5632737 2.1975 -602.5623458 2.205 -602.5615567 2.2125 -602.560905 2.22 -602.5603894 2.2275 -602.5600087 2.235 -602.5597615 2.2425 -602.5596467 2.25 -602.5596627 2.2575 -602.5598085 2.265 -602.5600826 2.2725 -602.5604838 2.28 -602.5610108 2.2875 -602.5616622 2.295 -602.5624368 2.3025 -602.5633334 2.31 -602.5643505 2.3175 -602.5654869 2.325 -602.5667413 2.3325 -602.5681124 2.34 -602.5695989 2.3475 -602.5711995 2.355 -602.5729129 2.3625 -602.5747379 2.37 -602.576673 2.3775 -602.5787171 2.385 -602.5808688 2.3925 -602.5831268 2.4 -602.5854899 2.4075 -602.5879567 2.415 -602.5905259 2.4225 -602.5931963 2.43 -602.5959665 2.4375 -602.5988352 2.445 -602.6018013 2.4525 -602.6048632 2.46 -602.6080198 2.4675 -602.6112698 2.475 -602.6146119 2.4825 -602.6180447 2.49 -602.621567 2.4975 -602.6251774 2.505 -602.6288748 2.5125 -602.6326577 2.52 -602.6365249 2.5275 -602.640475 2.535 -602.6445069 2.5425 -602.6486192 2.55 -602.6528106 2.5575 -602.6570797 2.565 -602.6614254 2.5725 -602.6658463 2.58 -602.6703411 2.5875 -602.6749085 2.595 -602.6795472 2.6025 -602.6842559 2.61 -602.6890334 2.6175 -602.6938783 2.625 -602.6987893 2.6325 -602.7037652 2.64 -602.7088045 2.6475 -602.7139062 2.655 -602.7190687 2.6625 -602.724291 2.67 -602.7295715 2.6775 -602.7349092 2.685 -602.7403025 2.6925 -602.7457504 2.7 -602.7512514 2.7075 -602.7568043 2.715 -602.7624077 2.7225 -602.7680604 2.73 -602.7737611 2.7375 -602.7795085 2.745 -602.7853013 2.7525 -602.7911381 2.76 -602.7970177 2.7675 -602.8029389 2.775 -602.8089002 2.7825 -602.8149004 2.79 -602.8209382 2.7975 -602.8270124 2.805 -602.8331215 2.8125 -602.8392644 2.82 -602.8454397 2.8275 -602.8516461 2.835 -602.8578823 2.8425 -602.864147 2.85 -602.870439 2.8575 -602.8767569 2.865 -602.8830995 2.8725 -602.8894654 2.88 -602.8958533 2.8875 -602.902262 2.895 -602.9086901 2.9025 -602.9151364 2.91 -602.9215995 2.9175 -602.9280782 2.925 -602.9345712 2.9325 -602.9410771 2.94 -602.9475947 2.9475 -602.9541227 2.955 -602.9606597 2.9625 -602.9672045 2.97 -602.9737559 2.9775 -602.9803124 2.985 -602.9868727 2.9925 -602.9934357 3 -603 end Lx W X name "" spin 0.5 0.5 lambda 1 2 sigma 0.5 -0.5 factor -i -i -2i type polynom_decay_24 values RE 1.45980516859922e+00 link ( 1.45164669612004e+00) BETA 8.00000000000000E-02 GAMMA 2.00000000000000E-03 P 8.00000000000000E+00 B0 1.04345231198079e+00 fit ( 1.04345231198079e+00) B1 9.32196819445521e-02 fit ( 9.32196819445521e-02) B2 3.00957103859015e-01 fit ( 3.00957103859015e-01) B3 0.00000000000000E+00 BINF 1.00000000000000E+00 end abinitio Lx W X name "" spin 0.5 0.5 lambda 1 2 sigma 0.5 -0.5 type grid factor -i -i -2i values 0.750000000000 0.7856000 1.500000000000 1.0614000 2.000000000000 1.0109000 3.000000000000 1.0000000 end Lx V W name "" spin 0.5 0.5 lambda 0 1 factor 1.0 factor i 0 -i type polynom_decay_24 values RE 1.51225909974988e+00 link ( 1.50219075484126e+00) BETA 8.00000000000000E-02 GAMMA 2.00000000000000E-03 P 8.00000000000000E+00 B0 1.47331421060194e+00 fit ( 1.47331421060194e+00) B1 1.90653913213551e+00 fit ( 1.90653913213551e+00) B2 4.03889134911841e+00 fit ( 4.03889134911841e+00) B3 0.00000000000000E+00 BINF 1.00000000000000E+00 end abinitio Lx V W name "" spin 0.5 0.5 lambda 0 1 type grid factor 1.0 factor i 0 -i values 0.750000000000 0.2552000 1.400000000000 0.8034500 1.900000000000 0.9514000 3.000000000000 1.0000000 end bob-rot X X name "" spin 0.5 0.5 lambda 2 2 sigma 0.5 0.5 factor 1.0 type POLYNOM_DECAY_DAMP values RE 1.45980516859922e+00 link ( 1.45164669612004e+00) BETA 8.00000000000000E-02 P 6.00000000000000E+00 S 5.50000000000000E+00 B 2.00000000000000e-02 C 1.00000000000000E+03 B0 6.20157495082322e-03 fit ( 6.20157495082322e-03) B1 1.08091243602457e-02 fit ( 1.08091243602457e-02) B2 0.00000000000000E+00 B3 0.00000000000000E+00 BINF 0.00000000000000E+00 end bob-rot W W name "" spin 0.5 0.5 lambda 1 1 sigma 0.5 0.5 factor 1.0 type POLYNOM_DECAY_DAMP values RE 1.51225909974988e+00 link ( 1.50219075484126e+00) BETA 8.00000000000000E-02 P 6.00000000000000E+00 S 5.50000000000000E+00 B 2.00000000000000e-02 C 1.00000000000000E+03 B0 5.72463706360207e-03 fit ( 5.72463706360207e-03) B1 5.32642970868837e-03 fit ( 5.32642970868837e-03) B2 0.00000000000000E+00 (-4.58593643683882e+00 fit) B3 0.00000000000000E+00 BINF 0.00000000000000E+00 end bob-rot V V name "" spin 0.5 0.5 lambda 0 0 sigma 0.5 0.5 factor 1.0 type POLYNOM_DECAY_DAMP values RE 1.50277544801721e+00 link ( 1.48788339017341e+00) BETA 8.00000000000000E-02 P 6.00000000000000E+00 S 5.50000000000000E+00 B 2.00000000000000e-02 C 1.00000000000000E+03 B0 8.65737701574071e-03 fit ( 8.65737701574071e-03) B1 9.50902436744669e-03 fit ( 9.50902436744669e-03) B2 0.00000000000000E+00 (-4.58593643683882e+00 fit) B3 0.00000000000000E+00 BINF 0.00000000000000E+00 end spin-rot X X name "" spin 0.5 0.5 lambda 2 2 sigma 0.5 0.5 factor 1.0 type POLYNOM_DECAY_DAMP values RE 1.45980516859922e+00 link ( 1.45164669612004e+00) BETA 8.00000000000000E-02 P 6.00000000000000E+00 S 5.50000000000000E+00 B 2.00000000000000e-02 C 1.00000000000000E+03 B0 1.97363636782823e-01 fit ( 1.97363636782823e-01) B1 1.39030649259377e+00 fit ( 1.39030649259377e+00) B2 0.00000000000000E+00 (-4.58593643683882e+00 fit) B3 0.00000000000000E+00 B3 0.00000000000000E+00 B3 0.00000000000000E+00 BINF -1.00000000000000E+00 end abinitio spin-rot X X name "" spin 0.5 0.5 lambda 2 2 sigma 0.5 0.5 type grid factor 1.00 values 0.75 3.33 0.7575 3.26298835 0.765 3.19602869 0.7725 3.129173 0.78 3.06247326 0.7875 2.99598145 0.795 2.92974957 0.8025 2.86382959 0.81 2.79827351 0.8175 2.73313329 0.825 2.66846094 0.8325 2.60430842 0.84 2.54072774 0.8475 2.47777086 0.855 2.41548978 0.8625 2.35393648 0.87 2.29316294 0.8775 2.23322115 0.885 2.17416309 0.8925 2.11604075 0.9 2.05890611 0.9075 2.00281115 0.915 1.94780786 0.9225 1.89394823 0.93 1.84128423 0.9375 1.78986786 0.945 1.73975109 0.9525 1.69098591 0.96 1.6436243 0.9675 1.59771825 0.975 1.55331975 0.9825 1.51048077 0.99 1.46925331 0.9975 1.42968934 1.005 1.39183637 1.0125 1.35568989 1.02 1.32121179 1.0275 1.28836342 1.035 1.25710613 1.0425 1.22740127 1.05 1.19921018 1.0575 1.17249421 1.065 1.14721471 1.0725 1.12333302 1.08 1.1008105 1.0875 1.07960848 1.095 1.05968831 1.1025 1.04101135 1.11 1.02353893 1.1175 1.00723241 1.125 0.99205313 1.1325 0.97796243 1.14 0.96492167 1.1475 0.9528922 1.155 0.94183535 1.1625 0.93171248 1.17 0.92248493 1.1775 0.91411405 1.185 0.90656119 1.1925 0.89978769 1.2 0.8937549 1.2075 0.88842416 1.215 0.88375683 1.2225 0.87971425 1.23 0.87625777 1.2375 0.87334873 1.245 0.87094848 1.2525 0.86901837 1.26 0.86751974 1.2675 0.86641394 1.275 0.86566232 1.2825 0.86522623 1.29 0.86506701 1.2975 0.865146 1.305 0.86542457 1.3125 0.86586404 1.32 0.86642577 1.3275 0.86707111 1.335 0.8677614 1.3425 0.86845799 1.35 0.86912223 1.3575 0.86971546 1.365 0.87019903 1.3725 0.87053428 1.38 0.87068257 1.3875 0.87060524 1.395 0.87026364 1.4025 0.8696194 1.41 0.86865132 1.4175 0.86736483 1.425 0.86576764 1.4325 0.86386745 1.44 0.86167199 1.4475 0.85918895 1.455 0.85642606 1.4625 0.85339102 1.47 0.85009154 1.4775 0.84653534 1.485 0.84273012 1.4925 0.8386836 1.5 0.83440349 1.5075 0.8298975 1.515 0.82517333 1.5225 0.82023871 1.53 0.81510134 1.5375 0.80976893 1.545 0.80424919 1.5525 0.79854984 1.56 0.79267859 1.5675 0.78664314 1.575 0.78045121 1.5825 0.77411051 1.59 0.76762874 1.5975 0.76101363 1.605 0.75427288 1.6125 0.7474142 1.62 0.74044531 1.6275 0.73337391 1.635 0.72620772 1.6425 0.71895444 1.65 0.71162179 1.6575 0.70421748 1.665 0.69674922 1.6725 0.68922473 1.68 0.6816517 1.6875 0.67403785 1.695 0.6663909 1.7025 0.65871856 1.71 0.65102853 1.7175 0.64332852 1.725 0.63562626 1.7325 0.62792944 1.74 0.62024578 1.7475 0.612583 1.755 0.6049488 1.7625 0.59735088 1.77 0.58979698 1.7775 0.58229478 1.785 0.57485202 1.7925 0.56747639 1.8 0.56017561 1.8075 0.55295738 1.815 0.54582943 1.8225 0.53879946 1.83 0.53187518 1.8375 0.5250643 1.845 0.51837454 1.8525 0.5118136 1.86 0.5053892 1.8675 0.49910904 1.875 0.49298084 1.8825 0.48701232 1.89 0.48121117 1.8975 0.47558511 1.905 0.47014141 1.9125 0.46488219 1.92 0.45980623 1.9275 0.45491227 1.935 0.45019905 1.9425 0.44566531 1.95 0.44130978 1.9575 0.43713119 1.965 0.43312828 1.9725 0.4292998 1.98 0.42564446 1.9875 0.42216102 1.995 0.41884821 2.0025 0.41570475 2.01 0.4127294 2.0175 0.40992088 2.025 0.40727794 2.0325 0.4047993 2.04 0.4024837 2.0475 0.40032989 2.055 0.39833659 2.0625 0.39650254 2.07 0.39482647 2.0775 0.39330714 2.085 0.39194326 2.0925 0.39073358 2.1 0.38967683 2.1075 0.38877175 2.115 0.38801707 2.1225 0.38741154 2.13 0.38695388 2.1375 0.38664283 2.145 0.38647713 2.1525 0.38645552 2.16 0.38657673 2.1675 0.38683949 2.175 0.38724255 2.1825 0.38778463 2.19 0.38846449 2.1975 0.38928084 2.205 0.39023243 2.2125 0.391318 2.22 0.39253627 2.2275 0.39388599 2.235 0.3953659 2.2425 0.39697472 2.25 0.39871119 2.2575 0.40057406 2.265 0.40256205 2.2725 0.4046739 2.28 0.40690835 2.2875 0.40926414 2.295 0.41174 2.3025 0.41433466 2.31 0.41704687 2.3175 0.41987536 2.325 0.42281886 2.3325 0.42587611 2.34 0.42904585 2.3475 0.43232681 2.355 0.43571774 2.3625 0.43921735 2.37 0.4428244 2.3775 0.44653762 2.385 0.45035574 2.3925 0.45427751 2.4 0.45830164 2.4075 0.46242689 2.415 0.46665199 2.4225 0.47097568 2.43 0.47539668 2.4375 0.47991374 2.445 0.48452559 2.4525 0.48923097 2.46 0.49402862 2.4675 0.49891726 2.475 0.50389565 2.4825 0.50896251 2.49 0.51411657 2.4975 0.51935658 2.505 0.52468128 2.5125 0.53008939 2.52 0.53557965 2.5275 0.54115081 2.535 0.54680159 2.5425 0.55253073 2.55 0.55833697 2.5575 0.56421904 2.565 0.57017569 2.5725 0.57620564 2.58 0.58230763 2.5875 0.5884804 2.595 0.59472269 2.6025 0.60103323 2.61 0.60741075 2.6175 0.613854 2.625 0.6203617 2.6325 0.6269326 2.64 0.63356544 2.6475 0.64025894 2.655 0.64701184 2.6625 0.65382288 2.67 0.6606908 2.6775 0.66761433 2.685 0.67459221 2.6925 0.68162317 2.7 0.68870595 2.7075 0.69583929 2.715 0.70302192 2.7225 0.71025257 2.73 0.71753 2.7375 0.72485292 2.745 0.73222008 2.7525 0.73963021 2.76 0.74708205 2.7675 0.75457434 2.775 0.7621058 2.7825 0.76967519 2.79 0.77728122 2.7975 0.78492265 2.805 0.7925982 2.8125 0.80030662 2.82 0.80804663 2.8275 0.81581697 2.835 0.82361638 2.8425 0.8314436 2.85 0.83929737 2.8575 0.84717641 2.865 0.85507946 2.8725 0.86300526 2.88 0.87095255 2.8875 0.87892007 2.895 0.88690654 2.9025 0.8949107 2.91 0.9029313 2.9175 0.91096707 2.925 0.91901673 2.9325 0.92707904 2.94 0.93515272 2.9475 0.94323651 2.955 0.95132915 2.9625 0.95942937 2.97 0.96753591 2.9775 0.97564751 2.985 0.9837629 2.9925 0.99188082 3 1 end spin-rot W W name "" spin 0.5 0.5 lambda 1 1 sigma 0.5 0.5 factor 1.0 type POLYNOM_DECAY_DAMP values RE 1.51225909974988e+00 link ( 1.50219075484126e+00) BETA 8.00000000000000E-02 P 6.00000000000000E+00 S 5.50000000000000E+00 B 1.00000000000000e-04 C 1.00000000000000E+04 B0 -3.46731558185970e-01 fit ( -3.46731558185970e-01) B1 2.35000000000000e+00 B2 -9.71651039365213e-01 fit ( -9.71651039365213e-01) B3 0.00000000000000e+00 BINF -1.00000000000000E+00 end abinitio spin-rot W W name "" spin 0.5 0.5 lambda 1 1 sigma 0.5 0.5 factor 1.0 type grid values 0.75 2.0517 0.7575 2.03788815 0.765 2.02407797 0.7725 2.01027112 0.78 1.99646925 0.7875 1.98267404 0.795 1.96888714 0.8025 1.95511022 0.81 1.94134495 0.8175 1.92759298 0.825 1.91385598 0.8325 1.90013561 0.84 1.88643354 0.8475 1.87275142 0.855 1.85909093 0.8625 1.84545372 0.87 1.83184147 0.8775 1.81825582 0.885 1.80469845 0.8925 1.79117102 0.9 1.77767519 0.9075 1.76421262 0.915 1.75078498 0.9225 1.73739393 0.93 1.72404114 0.9375 1.71072826 0.945 1.69745697 0.9525 1.68422892 0.96 1.67104578 0.9675 1.6579092 0.975 1.64482086 0.9825 1.63178242 0.99 1.61879554 0.9975 1.60586188 1.005 1.59298311 1.0125 1.58016089 1.02 1.56739688 1.0275 1.55469275 1.035 1.54205016 1.0425 1.52947077 1.05 1.51695625 1.0575 1.50450825 1.065 1.49212845 1.0725 1.47981851 1.08 1.46758008 1.0875 1.45541484 1.095 1.44332444 1.1025 1.43131055 1.11 1.41937483 1.1175 1.40751895 1.125 1.39574456 1.1325 1.38405334 1.14 1.37244695 1.1475 1.36092704 1.155 1.34949528 1.1625 1.33815334 1.17 1.32690287 1.1775 1.31574555 1.185 1.30468303 1.1925 1.29371698 1.2 1.28284906 1.2075 1.27208093 1.215 1.26141426 1.2225 1.25085071 1.23 1.24039194 1.2375 1.23003963 1.245 1.21979542 1.2525 1.20966098 1.26 1.19963799 1.2675 1.18972809 1.275 1.17993295 1.2825 1.17025424 1.29 1.16069363 1.2975 1.15125276 1.305 1.14193331 1.3125 1.13273694 1.32 1.12366531 1.3275 1.11472009 1.335 1.10590294 1.3425 1.09721552 1.35 1.08865949 1.3575 1.08023652 1.365 1.07194828 1.3725 1.06379642 1.38 1.05578261 1.3875 1.04790851 1.395 1.04017579 1.4025 1.03258608 1.41 1.02513991 1.4175 1.01783604 1.425 1.01067307 1.4325 1.00364962 1.44 0.99676431 1.4475 0.99001574 1.455 0.98340253 1.4625 0.97692328 1.47 0.97057662 1.4775 0.96436114 1.485 0.95827548 1.4925 0.95231822 1.5 0.946488 1.5075 0.94078342 1.515 0.93520309 1.5225 0.92974562 1.53 0.92440963 1.5375 0.91919373 1.545 0.91409653 1.5525 0.90911664 1.56 0.90425268 1.5675 0.89950325 1.575 0.89486697 1.5825 0.89034245 1.59 0.8859283 1.5975 0.88162314 1.605 0.87742558 1.6125 0.87333422 1.62 0.86934768 1.6275 0.86546458 1.635 0.86168352 1.6425 0.85800311 1.65 0.85442198 1.6575 0.85093872 1.665 0.84755196 1.6725 0.8442603 1.68 0.84106236 1.6875 0.83795675 1.695 0.83494208 1.7025 0.83201696 1.71 0.82918 1.7175 0.82642982 1.725 0.82376503 1.7325 0.82118424 1.74 0.81868606 1.7475 0.81626911 1.755 0.81393199 1.7625 0.81167333 1.77 0.80949172 1.7775 0.80738578 1.785 0.80535413 1.7925 0.80339538 1.8 0.80150813 1.8075 0.79969101 1.815 0.79794261 1.8225 0.79626157 1.83 0.79464647 1.8375 0.79309595 1.845 0.79160861 1.8525 0.79018306 1.86 0.78881791 1.8675 0.78751178 1.875 0.78626328 1.8825 0.78507102 1.89 0.78393362 1.8975 0.78284967 1.905 0.78181786 1.9125 0.78083743 1.92 0.77990803 1.9275 0.7790293 1.935 0.7782009 1.9425 0.77742247 1.95 0.77669365 1.9575 0.77601411 1.965 0.77538348 1.9725 0.77480142 1.98 0.77426757 1.9875 0.77378157 1.995 0.77334309 2.0025 0.77295176 2.01 0.77260724 2.0175 0.77230917 2.025 0.7720572 2.0325 0.77185098 2.04 0.77169016 2.0475 0.77157438 2.055 0.77150329 2.0625 0.77147655 2.07 0.77149379 2.0775 0.77155467 2.085 0.77165884 2.0925 0.77180594 2.1 0.77199562 2.1075 0.77222753 2.115 0.77250132 2.1225 0.77281663 2.13 0.77317312 2.1375 0.77357043 2.145 0.77400821 2.1525 0.7744861 2.16 0.77500377 2.1675 0.77556085 2.175 0.77615699 2.1825 0.77679184 2.19 0.77746505 2.1975 0.77817626 2.205 0.77892513 2.2125 0.77971131 2.22 0.78053443 2.2275 0.78139416 2.235 0.78229013 2.2425 0.78322199 2.25 0.7841894 2.2575 0.785192 2.265 0.78622944 2.2725 0.78730137 2.28 0.78840743 2.2875 0.78954727 2.295 0.79072055 2.3025 0.79192691 2.31 0.79316599 2.3175 0.79443746 2.325 0.79574094 2.3325 0.7970761 2.34 0.79844258 2.3475 0.79984002 2.355 0.80126809 2.3625 0.80272641 2.37 0.80421465 2.3775 0.80573245 2.385 0.80727946 2.3925 0.80885533 2.4 0.8104597 2.4075 0.81209222 2.415 0.81375255 2.4225 0.81544032 2.43 0.81715519 2.4375 0.81889681 2.445 0.82066482 2.4525 0.82245887 2.46 0.82427862 2.4675 0.8261237 2.475 0.82799376 2.4825 0.82988846 2.49 0.83180744 2.4975 0.83375035 2.505 0.83571684 2.5125 0.83770656 2.52 0.83971915 2.5275 0.84175426 2.535 0.84381154 2.5425 0.84589064 2.55 0.84799121 2.5575 0.8501129 2.565 0.85225534 2.5725 0.8544182 2.58 0.85660111 2.5875 0.85880374 2.595 0.86102572 2.6025 0.8632667 2.61 0.86552633 2.6175 0.86780426 2.625 0.87010014 2.6325 0.87241362 2.64 0.87474434 2.6475 0.87709195 2.655 0.8794561 2.6625 0.88183644 2.67 0.88423261 2.6775 0.88664427 2.685 0.88907106 2.6925 0.89151264 2.7 0.89396864 2.7075 0.89643871 2.715 0.89892251 2.7225 0.90141969 2.73 0.90392988 2.7375 0.90645275 2.745 0.90898793 2.7525 0.91153507 2.76 0.91409383 2.7675 0.91666385 2.775 0.91924478 2.7825 0.92183627 2.79 0.92443796 2.7975 0.92704951 2.805 0.92967055 2.8125 0.93230075 2.82 0.93493975 2.8275 0.93758719 2.835 0.94024272 2.8425 0.942906 2.85 0.94557667 2.8575 0.94825437 2.865 0.95093876 2.8725 0.95362949 2.88 0.9563262 2.8875 0.95902854 2.895 0.96173616 2.9025 0.9644487 2.91 0.96716582 2.9175 0.96988716 2.925 0.97261238 2.9325 0.97534111 2.94 0.97807301 2.9475 0.98080772 2.955 0.9835449 2.9625 0.98628419 2.97 0.98902524 2.9775 0.9917677 2.985 0.99451121 2.9925 0.99725543 3 1 end spin-rot V V name "" spin 0.5 0.5 lambda 0 0 sigma 0.5 0.5 factor 1.0 type POLYNOM_DECAY_DAMP values RE 1.50277544801721e+00 link ( 1.48788339017341e+00) BETA 8.00000000000000E-02 P 6.00000000000000E+00 S 5.50000000000000E+01 B 2.00000000000000e-04 C 1.00000000000000E+04 B0 -6.47123077146398e-01 fit ( -6.47123077146398e-01) B1 3.19681126929143e+00 ( 4.22474254013216e+00) B2 0.00000000000000E+00 (-4.58593643683882e+00 fit) B3 0.00000000000000E+00 B3 0.00000000000000E+00 B3 0.00000000000000E+00 BINF -1.00000000000000E+00 end abinitio spin-rot V V name "" spin 0.5 0.5 lambda 0 0 sigma 0.5 0.5 factor 1.0 type grid values 0.75 0.9041 0.7575 0.90534416 0.765 0.90658814 0.7725 0.90783178 0.78 0.9090749 0.7875 0.91031734 0.795 0.91155891 0.8025 0.91279945 0.81 0.91403878 0.8175 0.91527673 0.825 0.91651313 0.8325 0.91774781 0.84 0.9189806 0.8475 0.92021131 0.855 0.92143979 0.8625 0.92266586 0.87 0.92388933 0.8775 0.92511006 0.885 0.92632785 0.8925 0.92754254 0.9 0.92875396 0.9075 0.92996193 0.915 0.93116628 0.9225 0.93236684 0.93 0.93356344 0.9375 0.93475591 0.945 0.93594406 0.9525 0.93712774 0.96 0.93830676 0.9675 0.93948096 0.975 0.94065016 0.9825 0.94181419 0.99 0.94297288 0.9975 0.94412606 1.005 0.94527355 1.0125 0.94641518 1.02 0.94755078 1.0275 0.94868018 1.035 0.9498032 1.0425 0.95091967 1.05 0.95202943 1.0575 0.95313229 1.065 0.95422809 1.0725 0.95531665 1.08 0.9563978 1.0875 0.95747136 1.095 0.95853718 1.1025 0.95959507 1.11 0.96064486 1.1175 0.96168638 1.125 0.96271945 1.1325 0.96374391 1.14 0.96475958 1.1475 0.96576629 1.155 0.96676387 1.1625 0.96775215 1.17 0.96873095 1.1775 0.96970009 1.185 0.97065942 1.1925 0.97160875 1.2 0.97254792 1.2075 0.97347674 1.215 0.97439506 1.2225 0.97530269 1.23 0.97619947 1.2375 0.97708522 1.245 0.97795977 1.2525 0.97882295 1.26 0.97967458 1.2675 0.98051449 1.275 0.98134252 1.2825 0.98215848 1.29 0.98296221 1.2975 0.98375353 1.305 0.98453228 1.3125 0.98529827 1.32 0.98605134 1.3275 0.98679131 1.335 0.98751802 1.3425 0.98823128 1.35 0.98893094 1.3575 0.98961681 1.365 0.99028872 1.3725 0.9909465 1.38 0.99158998 1.3875 0.99221898 1.395 0.99283334 1.4025 0.99343288 1.41 0.99401743 1.4175 0.99458682 1.425 0.99514087 1.4325 0.99567941 1.44 0.99620227 1.4475 0.99670928 1.455 0.99720027 1.4625 0.99767505 1.47 0.99813347 1.4775 0.99857535 1.485 0.99900051 1.4925 0.99940878 1.5 0.9998 1.5075 1.00017406 1.515 1.00053119 1.5225 1.00087167 1.53 1.0011958 1.5375 1.00150387 1.545 1.00179617 1.5525 1.00207301 1.56 1.00233466 1.5675 1.00258144 1.575 1.00281362 1.5825 1.0030315 1.59 1.00323537 1.5975 1.00342554 1.605 1.00360229 1.6125 1.00376591 1.62 1.0039167 1.6275 1.00405495 1.635 1.00418095 1.6425 1.004295 1.65 1.0043974 1.6575 1.00448842 1.665 1.00456838 1.6725 1.00463756 1.68 1.00469625 1.6875 1.00474475 1.695 1.00478335 1.7025 1.00481234 1.71 1.00483202 1.7175 1.00484268 1.725 1.00484462 1.7325 1.00483812 1.74 1.00482348 1.7475 1.004801 1.755 1.00477096 1.7625 1.00473366 1.77 1.0046894 1.7775 1.00463847 1.785 1.00458115 1.7925 1.00451775 1.8 1.00444855 1.8075 1.00437386 1.815 1.00429395 1.8225 1.00420914 1.83 1.0041197 1.8375 1.00402594 1.845 1.00392814 1.8525 1.0038266 1.86 1.00372162 1.8675 1.00361348 1.875 1.00350248 1.8825 1.00338891 1.89 1.00327307 1.8975 1.00315525 1.905 1.00303574 1.9125 1.00291484 1.92 1.00279283 1.9275 1.00267002 1.935 1.00254669 1.9425 1.00242315 1.95 1.00229967 1.9575 1.00217656 1.965 1.00205411 1.9725 1.00193261 1.98 1.00181236 1.9875 1.00169364 1.995 1.00157676 2.0025 1.001462 2.01 1.00134954 2.0175 1.00123938 2.025 1.00113149 2.0325 1.00102587 2.04 1.0009225 2.0475 1.00082135 2.055 1.00072241 2.0625 1.00062567 2.07 1.0005311 2.0775 1.00043869 2.085 1.00034842 2.0925 1.00026027 2.1 1.00017423 2.1075 1.00009028 2.115 1.00000839 2.1225 0.99992857 2.13 0.99985078 2.1375 0.999775 2.145 0.99970123 2.1525 0.99962945 2.16 0.99955963 2.1675 0.99949176 2.175 0.99942582 2.1825 0.99936179 2.19 0.99929967 2.1975 0.99923942 2.205 0.99918103 2.2125 0.99912449 2.22 0.99906978 2.2275 0.99901688 2.235 0.99896577 2.2425 0.99891643 2.25 0.99886886 2.2575 0.99882302 2.265 0.99877891 2.2725 0.9987365 2.28 0.99869578 2.2875 0.99865673 2.295 0.99861934 2.3025 0.99858358 2.31 0.99854944 2.3175 0.9985169 2.325 0.99848594 2.3325 0.99845655 2.34 0.99842871 2.3475 0.99840241 2.355 0.99837761 2.3625 0.99835431 2.37 0.9983325 2.3775 0.99831214 2.385 0.99829323 2.3925 0.99827574 2.4 0.99825967 2.4075 0.99824499 2.415 0.99823168 2.4225 0.99821973 2.43 0.99820912 2.4375 0.99819983 2.445 0.99819185 2.4525 0.99818516 2.46 0.99817974 2.4675 0.99817557 2.475 0.99817263 2.4825 0.99817092 2.49 0.9981704 2.4975 0.99817107 2.505 0.9981729 2.5125 0.99817589 2.52 0.99818 2.5275 0.99818523 2.535 0.99819156 2.5425 0.99819896 2.55 0.99820743 2.5575 0.99821694 2.565 0.99822747 2.5725 0.99823902 2.58 0.99825156 2.5875 0.99826507 2.595 0.99827954 2.6025 0.99829495 2.61 0.99831128 2.6175 0.99832852 2.625 0.99834665 2.6325 0.99836564 2.64 0.99838549 2.6475 0.99840617 2.655 0.99842768 2.6625 0.99844998 2.67 0.99847306 2.6775 0.99849691 2.685 0.99852151 2.6925 0.99854685 2.7 0.99857289 2.7075 0.99859963 2.715 0.99862705 2.7225 0.99865513 2.73 0.99868385 2.7375 0.99871321 2.745 0.99874317 2.7525 0.99877372 2.76 0.99880485 2.7675 0.99883653 2.775 0.99886875 2.7825 0.9989015 2.79 0.99893475 2.7975 0.99896848 2.805 0.99900269 2.8125 0.99903735 2.82 0.99907244 2.8275 0.99910796 2.835 0.99914387 2.8425 0.99918017 2.85 0.99921683 2.8575 0.99925384 2.865 0.99929118 2.8725 0.99932883 2.88 0.99936678 2.8875 0.99940501 2.895 0.99944349 2.9025 0.99948223 2.91 0.99952118 2.9175 0.99956035 2.925 0.99959971 2.9325 0.99963924 2.94 0.99967893 2.9475 0.99971876 2.955 0.99975871 2.9625 0.99979877 2.97 0.99983891 2.9775 0.99987912 2.985 0.99991939 2.9925 0.99995968 3 1 end lambda-p2q W W name "" mult 2 2 lambda 1 1 factor 1 type polynom_decay_24 factor 1.00 values RE 1.51225909974988e+00 link ( 1.50219075484126e+00) BETA 8.00000000000000E-02 GAMMA 2.00000000000000E-03 P 6.00000000000000E+00 B0 -6.25576326614456e-01 fit ( -6.25576326614456e-01) B1 2.04153927942063e+00 fit ( 2.04153927942063e+00) B2 0.00000000000000E+00 B3 0.00000000000000E+00 BINF 0.00000000000000E+00 end dipole X X name "" spin 0.5 0.5 lambda 2 2 sigma 0.5 0.5 factor 0.77 type polynom_decay_24 values RE 2.70146699227920e+00 ( 2.70146493016306e+00) BETA 5.00000000000000E-02 GAMMA 1.00000000000000E-03 P 9.00000000000000E+00 B0 -3.14871856726336e+00 ( -3.14872347650672e+00) B1 -2.59638733272689e+00 ( -2.59640373654886e+00) B2 -1.94073240999062e+00 ( -1.94074764885216e+00) B3 -7.62402666553005e-01 ( -7.62408022725203e-01) B3 0.00000000000000E+00 B3 0.00000000000000E+00 BINF 0.00000000000000E+00 end dipole W W name "" spin 0.5 0.5 lambda 1 1 sigma 0.5 0.5 factor 0.77 type polynom_decay_24 values RE 2.71909378778154e+00 ( 2.46103665658178e+00) BETA 5.00000000000000E-02 GAMMA 1.00000000000000E-03 P 9.00000000000000E+00 B0 -3.23468956664344e+00 ( -3.80647214879386e+00) B1 -2.61676660321775e+00 ( -4.75108800553903e+00) B2 -1.99001745622365e+00 ( -4.16099977498425e+00) B3 -7.91979702582739e-01 ( -1.66920589078830e+00) BINF 0.00000000000000E+00 end dipole V V name "" spin 0.5 0.5 lambda 0 0 sigma 0.5 0.5 factor 0.77 type polynom_decay_24 values RE 2.59330465373331e+00 ( 2.59351851266838e+00) BETA 5.00000000000000E-02 GAMMA 1.00000000000000E-03 P 9.00000000000000E+00 B0 -3.54709157912282e+00 ( -3.51258642758860e+00) B1 -3.83062374423585e+00 ( -3.90037421212064e+00) B2 -3.26988982181691e+00 ( -3.49938983997735e+00) B3 -1.31189587614942e+00 ( -1.43456112343980e+00) BINF 0.00000000000000E+00 end dipole-x V W name "" spin 0.5 0.5 lambda 0 1 type grid factor 1 0 -i units ea0 angstroms values 2.2 -0.026795 2.3 -0.021350 2.4 -0.016637 2.5 -0.012695 2.6 -0.009533 2.7 -0.007090 2.8 -0.005284 2.9 -0.004019 3.0 -0.003185 3.1 -0.002706 3.2 -0.002504 3.3 -0.002474 3.4 -0.002573 3.5 -0.002755 3.6 -0.002981 3.7 -0.003226 3.8 -0.003468 3.9 -0.003695 4.0 -0.003898 4.1 -0.004071 4.2 -0.004214 4.3 -0.004322 4.4 -0.004397 4.5 -0.004441 4.6 -0.004455 4.7 -0.004436 4.8 -0.004394 4.9 -0.004333 5.0 -0.004247 5.1 -0.004142 5.2 -0.004020 5.3 -0.003882 5.4 -0.003729 5.5 -0.003564 5.6 -0.003388 5.7 -0.003202 5.8 -0.003008 5.9 -0.002809 6.0 -0.002606 end dipole-x X W name "" spin 0.5 0.5 lambda 2 1 type grid factor 1 -2i -i units ea0 angstroms values 2.0 0.000697 2.1 -0.000507 2.2 -0.001987 2.3 -0.003405 2.4 -0.004877 2.5 -0.006348 2.6 -0.007786 2.7 -0.009157 2.8 -0.010439 2.9 -0.011614 3.0 -0.012666 3.1 -0.013592 3.2 -0.014387 3.3 -0.015045 3.4 -0.015571 3.5 -0.015972 3.6 -0.016253 3.7 -0.016421 3.8 -0.016487 3.9 -0.016457 4.0 -0.016339 4.1 -0.016143 4.2 -0.015874 4.3 -0.015539 4.4 -0.015145 4.5 -0.014697 4.6 -0.014199 4.7 -0.013656 4.8 -0.013074 4.9 -0.012458 5.0 -0.011812 5.1 -0.011142 5.2 -0.010452 5.3 -0.009749 5.4 -0.009040 5.5 -0.008332 5.6 -0.007632 5.7 -0.006946 5.8 -0.006283 5.9 -0.005649 6.0 -0.005050 end intensity absorption linelist NiH_J565_link thresh_intes 1e-50 thresh_dipole 1e-8 nspin 0.5 0 temperature 3000 J 0.5, 56.5 freq-window 0.0 10000 energy low 0.0 20000, upper 0.0,30000 end FITTING off JLIST 2.5 1.5 0.5 3.5 - 16.5 itmax 0 fit_factor 1e5 lock 1000 fit_scale 0.05 THRESH_OBS-CALC 3.0 linear_search 0 output NiH-mass_NOV_1b robust 0 energies 0.5 f 1 2091.137 V 0 0 0.5 0.5 10000 0.01 0.5 f 2 3454.185 W 0 1 0.5 0.5 10000 0.01 0.5 f 3 3888.002 V 1 0 0.5 0.5 100 0.01 0.5 f 4 5255.655 W 1 1 0.5 0.5 100 0.01 0.5 f 5 5619.058 V 2 0 0.5 0.5 100 0.01 0.5 e 1 2052.519 V 0 0 0.5 0.5 10000 0.01 0.5 e 2 3477.006 W 0 1 0.5 0.5 10000 0.01 0.5 e 3 3851.582 V 1 0 0.5 0.5 100 0.01 0.5 e 4 5276.155 W 1 1 0.5 0.5 100 0.01 0.5 e 5 5585.368 V 2 0 0.5 0.5 100 0.01 1.5 f 1 972.886 X 0 2 0.5 1.5 10000 0.01 1.5 f 2 2132.271 V 0 0 0.5 0.5 10000 0.01 1.5 f 3 2609.809 W 0 1 0.5 1.5 10000 0.01 1.5 f 4 2998.981 X 1 2 0.5 1.5 100 0.01 1.5 f 5 3465.39 W 0 1 0.5 0.5 10000 0.01 1.5 f 6 3927.459 V 1 0 0.5 0.5 100 0.01 1.5 f 7 4371.345 W 1 1 0.5 1.5 100 0.01 1.5 f 8 4898.306 X 2 2 0.5 1.5 100 0.01 1.5 f 9 5267.27 W 1 1 0.5 0.5 100 0.01 1.5 f 10 5656.682 V 2 0 0.5 0.5 100 0.01 1.5 f 11 6077.647 W 2 1 0.5 1.5 100 0.01 1.5 e 1 972.848 X 0 2 0.5 1.5 10000 0.01 1.5 e 2 2055.217 V 0 0 0.5 0.5 10000 0.01 1.5 e 3 2609.682 W 0 1 0.5 1.5 10000 0.01 1.5 e 4 2998.948 X 1 2 0.5 1.5 100 0.01 1.5 e 5 3510.985 W 0 1 0.5 0.5 10000 0.01 1.5 e 6 3854.845 V 1 0 0.5 0.5 100 0.01 1.5 e 7 4371.211 W 1 1 0.5 1.5 100 0.01 1.5 e 8 4898.271 X 2 2 0.5 1.5 100 0.01 1.5 e 9 5308.142 W 1 1 0.5 0.5 100 0.01 1.5 e 10 5589.617 V 2 0 0.5 0.5 100 0.01 1.5 e 11 6077.522 W 2 1 0.5 1.5 100 0.01 2.5 f 1 0 X 0 2 0.5 2.5 10000 0.01 2.5 f 2 1011.826 X 0 2 0.5 1.5 10000 0.01 2.5 f 3 1925.913 X 1 2 0.5 2.5 100 0.01 2.5 f 4 2187.791 V 0 0 0.5 0.5 10000 0.01 2.5 f 5 2648.928 W 0 1 0.5 1.5 10000 0.01 2.5 f 6 3036.304 X 1 2 0.5 1.5 100 0.01 2.5 f 7 3491.687 W 0 1 0.5 0.5 10000 0.01 2.5 f 8 3777.689 X 2 2 0.5 2.5 100 0.01 2.5 f 9 3980.904 V 1 0 0.5 0.5 100 0.01 2.5 f 10 4409.476 W 1 1 0.5 1.5 100 0.01 2.5 f 11 4934.062 X 2 2 0.5 1.5 100 0.01 2.5 f 12 5293.489 W 1 1 0.5 0.5 100 0.01 2.5 f 13 5555.895 X 3 2 0.5 2.5 100 0.01 2.5 f 14 5707.969 V 2 0 0.5 0.5 100 0.01 2.5 f 15 6114.726 W 2 1 0.5 1.5 100 0.01 2.5 f 16 7260.925 X 4 2 0.5 2.5 100 0.01 2.5 e 1 0 X 0 2 0.5 2.5 10000 0.01 2.5 e 2 1011.674 X 0 2 0.5 1.5 10000 0.01 2.5 e 3 1925.916 X 1 2 0.5 2.5 100 0.01 2.5 e 4 2072.699 V 0 0 0.5 0.5 10000 0.01 2.5 e 5 2648.415 W 0 1 0.5 1.5 10000 0.01 2.5 e 6 3036.149 X 1 2 0.5 1.5 100 0.01 2.5 e 7 3559.943 W 0 1 0.5 0.5 10000 0.01 2.5 e 8 3777.687 X 2 2 0.5 2.5 100 0.01 2.5 e 9 3872.573 V 1 0 0.5 0.5 100 0.01 2.5 e 10 4408.94 W 1 1 0.5 1.5 100 0.01 2.5 e 11 4933.894 X 2 2 0.5 1.5 100 0.01 2.5 e 12 5354.496 W 1 1 0.5 0.5 100 0.01 2.5 e 13 5555.897 X 3 2 0.5 2.5 100 0.01 2.5 e 14 5608.133 V 2 0 0.5 0.5 100 0.01 2.5 e 15 6114.191 W 2 1 0.5 1.5 100 0.01 2.5 e 16 7260.928 X 4 2 0.5 2.5 100 0.01 3.5 f 1 53.827 X 0 2 0.5 2.5 10000 0.01 3.5 f 2 1066.326 X 0 2 0.5 1.5 10000 0.01 3.5 f 3 1977.965 X 1 2 0.5 2.5 100 0.01 3.5 f 4 2257.559 V 0 0 0.5 0.5 10000 0.01 3.5 f 5 2703.774 W 0 1 0.5 1.5 10000 0.01 3.5 f 6 3088.541 X 1 2 0.5 1.5 100 0.01 3.5 f 7 3533.058 W 0 1 0.5 0.5 10000 0.01 3.5 f 8 3827.967 X 2 2 0.5 2.5 100 0.01 3.5 f 9 4048.214 V 1 0 0.5 0.5 100 0.01 3.5 f 10 4462.939 W 1 1 0.5 1.5 100 0.01 3.5 f 11 4984.102 X 2 2 0.5 1.5 100 0.01 3.5 f 12 5334.336 W 1 1 0.5 0.5 100 0.01 3.5 f 13 5604.415 X 3 2 0.5 2.5 100 0.01 3.5 f 14 5772.766 V 2 0 0.5 0.5 100 0.01 3.5 f 15 6166.71 W 2 1 0.5 1.5 100 0.01 3.5 f 16 7307.687 X 4 2 0.5 2.5 100 0.01 3.5 e 1 53.827 X 0 2 0.5 2.5 10000 0.01 3.5 e 2 1065.945 X 0 2 0.5 1.5 10000 0.01 3.5 e 3 1977.967 X 1 2 0.5 2.5 100 0.01 3.5 e 4 2105.039 V 0 0 0.5 0.5 10000 0.01 3.5 e 5 2702.498 W 0 1 0.5 1.5 10000 0.01 3.5 e 6 3088.141 X 1 2 0.5 1.5 100 0.01 3.5 e 7 3623.811 W 0 1 0.5 0.5 10000 0.01 3.5 e 8 3827.961 X 2 2 0.5 2.5 100 0.01 3.5 e 9 3904.884 V 1 0 0.5 0.5 100 0.01 3.5 e 10 4461.612 W 1 1 0.5 1.5 100 0.01 3.5 e 11 4983.677 X 2 2 0.5 1.5 100 0.01 3.5 e 12 5415.081 W 1 1 0.5 0.5 100 0.01 3.5 e 13 5604.359 X 3 2 0.5 2.5 100 0.01 3.5 e 14 5641.154 V 2 0 0.5 0.5 100 0.01 3.5 e 15 6165.39 W 2 1 0.5 1.5 100 0.01 3.5 e 16 7307.355 X 4 2 0.5 2.5 100 0.01 4.5 f 1 122.962 X 0 2 0.5 2.5 10000 0.01 4.5 f 2 1136.353 X 0 2 0.5 1.5 10000 0.01 4.5 f 3 2044.817 X 1 2 0.5 2.5 100 0.01 4.5 f 4 2341.456 V 0 0 0.5 0.5 10000 0.01 4.5 f 5 2774.375 W 0 1 0.5 1.5 10000 0.01 4.5 f 6 3155.657 X 1 2 0.5 1.5 100 0.01 4.5 f 7 3589.489 W 0 1 0.5 0.5 10000 0.01 4.5 f 8 3892.553 X 2 2 0.5 2.5 100 0.01 4.5 f 9 4129.244 V 1 0 0.5 0.5 100 0.01 4.5 f 10 4531.762 W 1 1 0.5 1.5 100 0.01 4.5 f 11 5048.399 X 2 2 0.5 1.5 100 0.01 4.5 f 12 5389.791 W 1 1 0.5 0.5 100 0.01 4.5 f 13 5666.724 X 3 2 0.5 2.5 100 0.01 4.5 f 14 5850.936 V 2 0 0.5 0.5 100 0.01 4.5 f 15 6233.63 W 2 1 0.5 1.5 100 0.01 4.5 f 16 7367.713 X 4 2 0.5 2.5 100 0.01 4.5 e 1 122.961 X 0 2 0.5 2.5 10000 0.01 4.5 e 2 1135.588 X 0 2 0.5 1.5 10000 0.01 4.5 e 3 2044.813 X 1 2 0.5 2.5 100 0.01 4.5 e 4 2152.294 V 0 0 0.5 0.5 10000 0.01 4.5 e 5 2771.837 W 0 1 0.5 1.5 10000 0.01 4.5 e 6 3154.853 X 1 2 0.5 1.5 100 0.01 4.5 e 7 3702.504 W 0 1 0.5 0.5 10000 0.01 4.5 e 8 3892.487 X 2 2 0.5 2.5 100 0.01 4.5 e 9 3951.891 V 1 0 0.5 0.5 100 0.01 4.5 e 10 4529.127 W 1 1 0.5 1.5 100 0.01 4.5 e 11 5047.53 X 2 2 0.5 1.5 100 0.01 4.5 e 12 5489.672 W 1 1 0.5 0.5 100 0.01 4.5 e 13 5666.414 X 3 2 0.5 2.5 100 0.01 4.5 e 14 5689.048 V 2 0 0.5 0.5 100 0.01 4.5 e 15 6231.011 W 2 1 0.5 1.5 100 0.01 4.5 e 16 7364.337 X 4 2 0.5 2.5 100 0.01 5.5 f 1 207.354 X 0 2 0.5 2.5 10000 0.01 5.5 f 2 1221.864 X 0 2 0.5 1.5 10000 0.01 5.5 f 3 2126.426 X 1 2 0.5 2.5 100 0.01 5.5 f 4 2439.316 V 0 0 0.5 0.5 10000 0.01 5.5 f 5 2860.736 W 0 1 0.5 1.5 10000 0.01 5.5 f 6 3237.617 X 1 2 0.5 1.5 100 0.01 5.5 f 7 3660.949 W 0 1 0.5 0.5 10000 0.01 5.5 f 8 3971.378 X 2 2 0.5 2.5 100 0.01 5.5 f 9 4223.851 V 1 0 0.5 0.5 100 0.01 5.5 f 10 4615.95 W 1 1 0.5 1.5 100 0.01 5.5 f 11 5126.898 X 2 2 0.5 1.5 100 0.01 5.5 f 12 5459.834 W 1 1 0.5 0.5 100 0.01 5.5 f 13 5742.761 X 3 2 0.5 2.5 100 0.01 5.5 f 14 5942.328 V 2 0 0.5 0.5 100 0.01 5.5 f 15 6315.48 W 2 1 0.5 1.5 100 0.01 5.5 f 16 7440.97 X 4 2 0.5 2.5 100 0.01 5.5 e 1 207.351 X 0 2 0.5 2.5 10000 0.01 5.5 e 2 1220.513 X 0 2 0.5 1.5 10000 0.01 5.5 e 3 2126.378 X 1 2 0.5 2.5 100 0.01 5.5 e 4 2214.514 V 0 0 0.5 0.5 10000 0.01 5.5 e 5 2856.332 W 0 1 0.5 1.5 10000 0.01 5.5 e 6 3236.197 X 1 2 0.5 1.5 100 0.01 5.5 e 7 3795.867 W 0 1 0.5 0.5 10000 0.01 5.5 e 8 3971.139 X 2 2 0.5 2.5 100 0.01 5.5 e 9 4013.807 V 1 0 0.5 0.5 100 0.01 5.5 e 10 4611.388 W 1 1 0.5 1.5 100 0.01 5.5 e 11 5125.369 X 2 2 0.5 1.5 100 0.01 5.5 e 12 5577.961 W 1 1 0.5 0.5 100 0.01 5.5 e 13 5741.2 X 3 2 0.5 2.5 100 0.01 5.5 e 14 5752.969 V 2 0 0.5 0.5 100 0.01 5.5 e 15 6310.949 W 2 1 0.5 1.5 100 0.01 5.5 e 16 7442.933 X 4 2 0.5 2.5 100 0.01 6.5 f 1 306.938 X 0 2 0.5 2.5 10000 0.01 6.5 f 2 1322.795 X 0 2 0.5 1.5 10000 0.01 6.5 f 3 2222.716 X 1 2 0.5 2.5 100 0.01 6.5 f 4 2550.998 V 0 0 0.5 0.5 10000 0.01 6.5 f 5 2962.85 W 0 1 0.5 1.5 10000 0.01 6.5 f 6 3334.362 X 1 2 0.5 1.5 100 0.01 6.5 f 7 3747.38 W 0 1 0.5 0.5 10000 0.01 6.5 f 8 4064.38 X 2 2 0.5 2.5 100 0.01 6.5 f 9 4331.893 V 1 0 0.5 0.5 100 0.01 6.5 f 10 4715.494 W 1 1 0.5 1.5 100 0.01 6.5 f 11 5219.548 X 2 2 0.5 1.5 100 0.01 6.5 f 12 5544.435 W 1 1 0.5 0.5 100 0.01 6.5 f 13 5832.472 X 3 2 0.5 2.5 100 0.01 6.5 f 14 6046.815 V 2 0 0.5 0.5 100 0.01 6.5 f 15 6412.233 W 2 1 0.5 1.5 100 0.01 6.5 f 16 7527.367 X 4 2 0.5 2.5 100 0.01 6.5 e 1 306.934 X 0 2 0.5 2.5 10000 0.01 6.5 e 2 1320.624 X 0 2 0.5 1.5 10000 0.01 6.5 e 3 2222.57 X 1 2 0.5 2.5 100 0.01 6.5 e 4 2291.757 V 0 0 0.5 0.5 10000 0.01 6.5 e 5 2955.879 W 0 1 0.5 1.5 10000 0.01 6.5 e 6 3332.067 X 1 2 0.5 1.5 100 0.01 6.5 e 7 3903.729 W 0 1 0.5 0.5 10000 0.01 6.5 e 8 4063.604 X 2 2 0.5 2.5 100 0.01 6.5 e 9 4091.025 V 1 0 0.5 0.5 100 0.01 6.5 e 10 4708.283 W 1 1 0.5 1.5 100 0.01 6.5 e 11 5217.07 X 2 2 0.5 1.5 100 0.01 6.5 e 12 5679.489 W 1 1 0.5 0.5 100 0.01 6.5 e 13 5825.275 V 2 0 0.5 0.5 100 0.01 6.5 e 14 5836.738 X 3 2 0.5 2.5 100 0.01 6.5 e 15 6405.091 W 2 1 0.5 1.5 100 0.01 6.5 e 16 7529.709 X 4 2 0.5 2.5 100 0.01 7.5 f 1 421.636 X 0 2 0.5 2.5 10000 0.01 7.5 f 2 1439.074 X 0 2 0.5 1.5 10000 0.01 7.5 f 3 2333.616 X 1 2 0.5 2.5 100 0.01 7.5 f 4 2676.368 V 0 0 0.5 0.5 10000 0.01 7.5 f 5 3080.685 W 0 1 0.5 1.5 10000 0.01 7.5 f 6 3445.819 X 1 2 0.5 1.5 100 0.01 7.5 f 7 3848.74 W 0 1 0.5 0.5 10000 0.01 7.5 f 8 4171.478 X 2 2 0.5 2.5 100 0.01 7.5 f 9 4453.232 V 1 0 0.5 0.5 100 0.01 7.5 f 10 4830.348 W 1 1 0.5 1.5 100 0.01 7.5 f 11 5326.272 X 2 2 0.5 1.5 100 0.01 7.5 f 12 5643.536 W 1 1 0.5 0.5 100 0.01 7.5 f 13 5935.779 X 3 2 0.5 2.5 100 0.01 7.5 f 14 6164.257 V 2 0 0.5 0.5 100 0.01 7.5 f 15 6523.85 W 2 1 0.5 1.5 100 0.01 7.5 f 16 7626.87 X 4 2 0.5 2.5 100 0.01 7.5 e 1 421.624 X 0 2 0.5 2.5 10000 0.01 7.5 e 2 1435.796 X 0 2 0.5 1.5 10000 0.01 7.5 e 3 2333.251 X 1 2 0.5 2.5 100 0.01 7.5 e 4 2384.116 V 0 0 0.5 0.5 10000 0.01 7.5 e 5 3070.355 W 0 1 0.5 1.5 10000 0.01 7.5 e 6 3442.345 X 1 2 0.5 1.5 100 0.01 7.5 e 7 4025.803 W 0 1 0.5 0.5 10000 0.01 7.5 e 8 4168.732 X 2 2 0.5 2.5 100 0.01 7.5 e 9 4184.85 V 1 0 0.5 0.5 100 0.01 7.5 e 10 4819.693 W 1 1 0.5 1.5 100 0.01 7.5 e 11 5322.507 X 2 2 0.5 1.5 100 0.01 7.5 e 12 5920.452 V 2 0 0.5 0.5 100 0.01 7.5 e 13 5939.111 X 3 2 0.5 2.5 100 0.01 7.5 e 14 6513.311 W 2 1 0.5 1.5 100 0.01 7.5 e 15 7630.016 X 4 2 0.5 2.5 100 0.01 8.5 f 1 551.37 X 0 2 0.5 2.5 10000 0.01 8.5 f 2 1570.618 X 0 2 0.5 1.5 10000 0.01 8.5 f 3 2459.038 X 1 2 0.5 2.5 100 0.01 8.5 f 4 2815.266 V 0 0 0.5 0.5 10000 0.01 8.5 f 5 3214.171 W 0 1 0.5 1.5 10000 0.01 8.5 f 6 3571.908 X 1 2 0.5 1.5 100 0.01 8.5 f 7 3964.957 W 0 1 0.5 0.5 10000 0.01 8.5 f 8 4292.601 X 2 2 0.5 2.5 100 0.01 8.5 f 9 4587.739 V 1 0 0.5 0.5 100 0.01 8.5 f 10 4960.435 W 1 1 0.5 1.5 100 0.01 8.5 f 11 5446.995 X 2 2 0.5 1.5 100 0.01 8.5 f 12 5757.075 W 1 1 0.5 0.5 100 0.01 8.5 f 13 6052.591 X 3 2 0.5 2.5 100 0.01 8.5 f 14 6294.53 V 2 0 0.5 0.5 100 0.01 8.5 f 15 6650.237 W 2 1 0.5 1.5 100 0.01 8.5 f 16 7739.379 X 4 2 0.5 2.5 100 0.01 8.5 e 1 551.342 X 0 2 0.5 2.5 10000 0.01 8.5 e 2 1565.901 X 0 2 0.5 1.5 10000 0.01 8.5 e 3 2458.096 X 1 2 0.5 2.5 100 0.01 8.5 e 4 2491.821 V 0 0 0.5 0.5 10000 0.01 8.5 e 5 3199.64 W 0 1 0.5 1.5 10000 0.01 8.5 e 6 3566.9 X 1 2 0.5 1.5 100 0.01 8.5 e 7 4161.619 W 0 1 0.5 0.5 10000 0.01 8.5 e 8 4298.905 X 2 2 0.5 2.5 100 0.01 8.5 e 9 4283.203 V 1 0 0.5 0.5 100 0.01 8.5 e 10 4945.486 W 1 1 0.5 1.5 100 0.01 8.5 e 11 5441.523 X 2 2 0.5 1.5 100 0.01 8.5 e 12 6031.573 V 2 0 0.5 0.5 100 0.01 8.5 e 13 6056.151 X 3 2 0.5 2.5 100 0.01 8.5 e 14 6635.49 W 2 1 0.5 1.5 100 0.01 8.5 e 15 7743.89 X 4 2 0.5 2.5 100 0.01 9.5 f 1 696.034 X 0 2 0.5 2.5 10000 0.01 9.5 f 2 1717.319 X 0 2 0.5 1.5 10000 0.01 9.5 f 3 2598.884 X 1 2 0.5 2.5 100 0.01 9.5 f 4 2967.572 V 0 0 0.5 0.5 10000 0.01 9.5 f 5 3363.218 W 0 1 0.5 1.5 10000 0.01 9.5 f 6 3712.526 X 1 2 0.5 1.5 100 0.01 9.5 f 7 4095.939 W 0 1 0.5 0.5 10000 0.01 9.5 f 8 4427.649 X 2 2 0.5 2.5 100 0.01 9.5 f 9 4735.303 V 1 0 0.5 0.5 100 0.01 9.5 f 10 5105.656 W 1 1 0.5 1.5 100 0.01 9.5 f 11 5581.587 X 2 2 0.5 1.5 100 0.01 9.5 f 12 5884.988 W 1 1 0.5 0.5 100 0.01 9.5 f 13 6182.826 X 3 2 0.5 2.5 100 0.01 9.5 f 14 6437.446 V 2 0 0.5 0.5 100 0.01 9.5 f 15 6791.305 W 2 1 0.5 1.5 100 0.01 9.5 e 1 695.984 X 0 2 0.5 2.5 10000 0.01 9.5 e 2 1710.776 X 0 2 0.5 1.5 10000 0.01 9.5 e 3 2596.036 X 1 2 0.5 2.5 100 0.01 9.5 e 4 3343.597 W 0 1 0.5 1.5 10000 0.01 9.5 e 5 3705.568 X 1 2 0.5 1.5 100 0.01 9.5 e 6 4310.295 W 0 1 0.5 0.5 10000 0.01 9.5 e 7 4408.659 V 1 0 0.5 0.5 100 0.01 9.5 e 8 4432.225 X 2 2 0.5 2.5 100 0.01 9.5 e 9 5085.524 W 1 1 0.5 1.5 100 0.01 9.5 e 10 5573.961 X 2 2 0.5 1.5 100 0.01 9.5 e 11 6187.068 X 3 2 0.5 2.5 100 0.01 9.5 e 12 6771.478 W 2 1 0.5 1.5 100 0.01 10.5 f 1 855.519 X 0 2 0.5 2.5 10000 0.01 10.5 f 2 1879.079 X 0 2 0.5 1.5 10000 0.01 10.5 f 3 2753.051 X 1 2 0.5 2.5 100 0.01 10.5 f 4 3133.172 V 0 0 0.5 0.5 10000 0.01 10.5 f 5 3527.697 W 0 1 0.5 1.5 10000 0.01 10.5 f 6 3867.572 X 1 2 0.5 1.5 100 0.01 10.5 f 7 4241.611 W 0 1 0.5 0.5 10000 0.01 10.5 f 8 4576.499 X 2 2 0.5 2.5 100 0.01 10.5 f 9 4895.803 V 1 0 0.5 0.5 100 0.01 10.5 f 10 5265.871 W 1 1 0.5 1.5 100 0.01 10.5 f 11 5729.995 X 2 2 0.5 1.5 100 0.01 10.5 f 12 6027.189 W 1 1 0.5 0.5 100 0.01 10.5 f 13 6326.372 X 3 2 0.5 2.5 100 0.01 10.5 f 14 6946.883 W 2 1 0.5 1.5 100 0.01 10.5 e 1 855.442 X 0 2 0.5 2.5 10000 0.01 10.5 e 2 1870.276 X 0 2 0.5 1.5 10000 0.01 10.5 e 3 2760.142 X 1 2 0.5 2.5 100 0.01 10.5 e 4 3502.086 W 0 1 0.5 1.5 10000 0.01 10.5 e 5 3858.195 X 1 2 0.5 1.5 100 0.01 10.5 e 6 4470.175 W 0 1 0.5 0.5 10000 0.01 10.5 e 7 4580.896 X 2 2 0.5 2.5 100 0.01 10.5 e 8 5239.662 W 1 1 0.5 1.5 100 0.01 10.5 e 9 5719.629 X 2 2 0.5 1.5 100 0.01 10.5 e 10 6331.796 X 3 2 0.5 2.5 100 0.01 10.5 e 11 6921.146 W 2 1 0.5 1.5 100 0.01 11.5 f 1 1029.704 X 0 2 0.5 2.5 10000 0.01 11.5 f 2 2055.749 X 0 2 0.5 1.5 10000 0.01 11.5 f 3 2921.42 X 1 2 0.5 2.5 100 0.01 11.5 f 4 3311.945 V 0 0 0.5 0.5 10000 0.01 11.5 f 5 3707.454 W 0 1 0.5 1.5 10000 0.01 11.5 f 6 4036.934 X 1 2 0.5 1.5 100 0.01 11.5 f 7 4739.057 X 2 2 0.5 2.5 100 0.01 11.5 f 8 5069.162 V 1 0 0.5 0.5 100 0.01 11.5 f 9 5440.91 W 1 1 0.5 1.5 100 0.01 11.5 f 10 6183.562 W 1 1 0.5 0.5 100 0.01 11.5 f 11 6483.125 X 3 2 0.5 2.5 100 0.01 11.5 e 1 1029.582 X 0 2 0.5 2.5 10000 0.01 11.5 e 2 2044.19 X 0 2 0.5 1.5 10000 0.01 11.5 e 3 2925.693 X 1 2 0.5 2.5 100 0.01 11.5 e 4 3674.929 W 0 1 0.5 1.5 10000 0.01 11.5 e 5 4024.579 X 1 2 0.5 1.5 100 0.01 11.5 e 6 4743.815 X 2 2 0.5 2.5 100 0.01 11.5 e 7 5407.75 W 1 1 0.5 1.5 100 0.01 11.5 e 8 6490.773 X 3 2 0.5 2.5 100 0.01 11.5 e 9 7084.304 W 2 1 0.5 1.5 100 0.01 12.5 f 1 1218.47 X 0 2 0.5 2.5 10000 0.01 12.5 f 2 2247.208 X 0 2 0.5 1.5 10000 0.01 12.5 f 3 3103.859 X 1 2 0.5 2.5 100 0.01 12.5 f 4 3902.284 W 0 1 0.5 1.5 10000 0.01 12.5 f 5 4220.465 X 1 2 0.5 1.5 100 0.01 12.5 f 6 4915.187 X 2 2 0.5 2.5 100 0.01 12.5 f 7 5630.575 W 1 1 0.5 1.5 100 0.01 12.5 f 8 6652.945 X 3 2 0.5 2.5 100 0.01 12.5 e 1 1218.289 X 0 2 0.5 2.5 10000 0.01 12.5 e 2 3861.978 W 0 1 0.5 1.5 10000 0.01 12.5 e 3 4204.572 X 1 2 0.5 1.5 100 0.01 12.5 e 4 4920.782 X 2 2 0.5 2.5 100 0.01 12.5 e 5 5589.624 W 1 1 0.5 1.5 100 0.01 13.5 f 1 2453.304 X 0 2 0.5 1.5 10000 0.01 13.5 f 2 3300.225 X 1 2 0.5 2.5 100 0.01 13.5 f 3 4111.97 W 0 1 0.5 1.5 10000 0.01 13.5 f 4 4418.041 X 1 2 0.5 1.5 100 0.01 13.5 f 5 5104.716 X 2 2 0.5 2.5 100 0.01 13.5 f 6 5834.645 W 1 1 0.5 1.5 100 0.01 13.5 f 7 6835.732 X 3 2 0.5 2.5 100 0.01 13.5 e 1 1421.4 X 0 2 0.5 2.5 10000 0.01 13.5 e 2 2434.515 X 0 2 0.5 1.5 10000 0.01 13.5 e 3 4063.088 W 0 1 0.5 1.5 10000 0.01 13.5 e 4 4397.887 X 1 2 0.5 1.5 100 0.01 13.5 e 5 5785.133 W 1 1 0.5 1.5 100 0.01 14.5 f 1 2673.874 X 0 2 0.5 1.5 10000 0.01 14.5 f 2 4629.493 X 1 2 0.5 1.5 100 0.01 14.5 e 1 4604.339 X 1 2 0.5 1.5 100 0.01 15.5 f 1 2908.731 X 0 2 0.5 1.5 10000 0.01 15.5 f 2 4854.66 X 1 2 0.5 1.5 100 0.01 15.5 e 1 2879.976 X 0 2 0.5 1.5 10000 0.01 16.5 f 1 3157.713 X 0 2 0.5 1.5 10000 0.01 end