Fit of ab initio energies to an Euler Hamiltonian; parametzers a_X, b_X, a_Y, b_Y have been adjusted individually several times and one by one. In the case of parameters starting with identifiers 90 or 92, the parameter names are those of a traditional Watson Hamiltonian. Parameters 90ij00 correspond to X_ij Parameters 92ij00 correspond to Y_ij See also the paper. H2D+, I^r, A Wed Jul 13 14:33:51 2016 LINES REQUESTED= 82 NUMBER OF PARAMETERS= 26 NUMBER OF ITERATIONS= 4 EXP.FREQ. - CALC.FREQ. - DIFF. - EXP.ERR.- EST.ERR.-AVG. CALC.FREQ. - DIFF. - WT. 1: 1 0 1 -1 0 0 45.6966500 45.6963090 0.0003410 -0.0010000 0.0000000 2: 1 1 1 -1 0 0 60.0257600 60.0255331 0.0002269 -0.0010000 0.0000000 3: 1 1 0 -1 0 0 72.4549700 72.4535950 0.0013750 -0.0010000 0.0000000 4: 2 0 2 -1 0 0 131.6347300 131.6343700 0.0003600 -0.0010000 0.0000000 5: 2 1 2 -1 0 0 138.8395900 138.8401251 -0.0005351 -0.0010000 0.0000000 6: 2 1 1 -1 0 0 175.9352100 175.9332894 0.0019206 -0.0010000 0.0000000 7: 2 2 1 -1 0 0 218.6554500 218.6542601 0.0011899 -0.0010000 0.0000000 8: 2 2 0 -1 0 0 223.8630600 223.8618917 0.0011683 -0.0010000 0.0000000 9: 3 0 3 -1 0 0 251.3723800 251.3724311 -0.0000511 -0.0010000 0.0000000 10: 3 1 3 -1 0 0 254.0156300 254.0166812 -0.0010512 -0.0010000 0.0000000 11: 3 1 2 -1 0 0 326.1531800 326.1512614 0.0019186 -0.0010000 0.0000000 12: 3 2 2 -1 0 0 354.7681500 354.7675253 0.0006247 -0.0010000 0.0000000 13: 3 2 1 -1 0 0 376.3474600 376.3474048 0.0000552 -0.0010000 0.0000000 14: 4 0 4 -1 0 0 402.7978900 402.7982722 -0.0003822 -0.0010000 0.0000000 15: 4 1 4 -1 0 0 403.5969600 403.5979326 -0.0009726 -0.0010000 0.0000000 16: 3 3 1 -1 0 0 458.3540800 458.3544768 -0.0003968 -0.0010000 0.0000000 17: 3 3 0 -1 0 0 459.8414100 459.8420625 -0.0006525 -0.0010000 0.0000000 18: 4 1 3 -1 0 0 516.1284500 516.1266804 0.0017696 -0.0010000 0.0000000 19: 4 2 3 -1 0 0 531.3081100 531.3077665 0.0003435 -0.0010000 0.0000000 20: 4 2 2 -1 0 0 581.4912100 581.4925742 -0.0013642 -0.0010000 0.0000000 21: 5 0 5 -1 0 0 586.1393100 586.1396248 -0.0003148 -0.0010000 0.0000000 22: 5 1 5 -1 0 0 586.3549200 586.3553519 -0.0004319 -0.0010000 0.0000000 23: 4 3 2 -1 0 0 645.5727300 645.5730208 -0.0002908 -0.0010000 0.0000000 24: 4 3 1 -1 0 0 654.5196000 654.5210309 -0.0014309 -0.0010000 0.0000000 25: 5 1 4 -1 0 0 738.7097700 738.7084609 0.0013091 -0.0010000 0.0000000 26: 5 2 4 -1 0 0 745.0333900 745.0327949 0.0005951 -0.0010000 0.0000000 27: 4 4 1 -1 0 0 778.6981100 778.6990694 -0.0009594 -0.0010000 0.0000000 28: 4 4 0 -1 0 0 779.0370000 779.0379995 -0.0009995 -0.0010000 0.0000000 29: 6 0 6 -1 0 0 801.5395900 801.5394997 0.0000903 -0.0010000 0.0000000 30: 6 1 6 -1 0 0 801.5929900 801.5926977 0.0002923 -0.0010000 0.0000000 31: 5 2 3 -1 0 0 833.2359200 833.2376286 -0.0017086 -0.0010000 0.0000000 32: 5 3 3 -1 0 0 876.5508500 876.5515204 -0.0006704 -0.0010000 0.0000000 33: 5 3 2 -1 0 0 904.1057600 904.1080266 -0.0022666 -0.0010000 0.0000000 34: 6 1 5 -1 0 0 991.0135600 991.0134659 0.0000941 -0.0010000 0.0000000 35: 6 2 5 -1 0 0 993.2056900 993.2049634 0.0007266 -0.0010000 0.0000000 36: 5 4 2 -1 0 0 1012.3406900 1012.3395894 0.0011006 -0.0010000 0.0000000 37: 5 4 1 -1 0 0 1015.0458600 1015.0447583 0.0011017 -0.0010000 0.0000000 38: 7 0 7 -1 0 0 1048.8280600 1048.8276565 0.0004035 -0.0010000 0.0000000 39: 7 1 7 -1 0 0 1048.8400900 1048.8394253 0.0006647 -0.0010000 0.0000000 40: 6 2 4 -1 0 0 1123.5917400 1123.5929489 -0.0012089 -0.0010000 0.0000000 41: 6 3 4 -1 0 0 1147.8746500 1147.8748530 -0.0002030 -0.0010000 0.0000000 42: 5 5 1 -1 0 0 1177.3916100 1177.3907775 0.0008325 -0.0010000 0.0000000 43: 5 5 0 -1 0 0 1177.4589600 1177.4580577 0.0009023 -0.0010000 0.0000000 44: 6 3 3 -1 0 0 1206.1232800 1206.1237615 -0.0004815 -0.0010000 0.0000000 45: 7 1 6 -1 0 0 1273.2775200 1273.2786702 -0.0011502 -0.0010000 0.0000000 46: 7 2 6 -1 0 0 1273.9452600 1273.9448912 0.0003688 -0.0010000 0.0000000 47: 6 4 3 -1 0 0 1291.2004200 1291.2003461 0.0000739 -0.0010000 0.0000000 48: 6 4 2 -1 0 0 1302.3285100 1302.3272522 0.0012578 -0.0010000 0.0000000 49: 8 0 8 -1 0 0 1327.6735900 1327.6734114 0.0001786 -0.0010000 0.0000000 50: 8 1 8 -1 0 0 1327.6759100 1327.6755105 0.0003995 -0.0010000 0.0000000 51: 7 2 5 -1 0 0 1444.8422700 1444.8434369 -0.0011669 -0.0010000 0.0000000 52: 6 5 2 -1 0 0 1454.3826500 1454.3826209 0.0000291 -0.0010000 0.0000000 53: 6 5 1 -1 0 0 1455.0422400 1455.0415949 0.0006451 -0.0010000 0.0000000 54: 7 3 5 -1 0 0 1455.9128100 1455.9123266 0.0004834 -0.0010000 0.0000000 55: 7 3 4 -1 0 0 1553.7499100 1553.7481372 0.0017728 -0.0010000 0.0000000 56: 8 1 7 -1 0 0 1585.9182200 1585.9196765 -0.0014565 -0.0010000 0.0000000 57: 8 2 7 -1 0 0 1586.1001500 1586.0997382 0.0004118 -0.0010000 0.0000000 58: 7 4 4 -1 0 0 1612.6747800 1612.6749005 -0.0001205 -0.0010000 0.0000000 59: 9 0 9 -1 0 0 1637.6638200 1637.6643396 -0.0005196 -0.0010000 0.0000000 60: 9 1 9 -1 0 0 1637.6636000 1637.6644636 -0.0008636 -0.0010000 0.0000000 61: 7 4 3 -1 0 0 1642.9812200 1642.9784068 0.0028132 -0.0010000 0.0000000 62: 6 6 1 -1 0 0 1650.8315700 1650.8320465 -0.0004765 -0.0010000 0.0000000 63: 6 6 0 -1 0 0 1650.8437300 1650.8441495 -0.0004195 -0.0010000 0.0000000 64: 7 5 3 -1 0 0 1776.0332100 1776.0359615 -0.0027515 -0.0010000 0.0000000 65: 7 5 2 -1 0 0 1779.4127200 1779.4131332 -0.0004132 -0.0010000 0.0000000 66: 8 2 6 -1 0 0 1793.2661100 1793.2666362 -0.0005262 -0.0010000 0.0000000 67: 8 3 6 -1 0 0 1797.4827100 1797.4820999 0.0006101 -0.0010000 0.0000000 68: 9 1 8 -1 0 0 1928.8761500 1928.8765571 -0.0004071 -0.0010000 0.0000000 69: 9 2 8 -1 0 0 1928.9196500 1928.9182665 0.0013835 -0.0010000 0.0000000 70: 8 3 5 -1 0 0 1938.5015400 1938.4991561 0.0023839 -0.0010000 0.0000000 71: 7 6 2 -1 0 0 1969.0276700 1969.0277943 -0.0001243 -0.0010000 0.0000000 72: 7 6 1 -1 0 0 1969.1667600 1969.1664417 0.0003183 -0.0010000 0.0000000 73: 8 4 5 -1 0 0 1973.2708100 1973.2707938 0.0000162 -0.0010000 0.0000000 74: 10 1 10 -1 0 0 1978.3333200 1978.3333472 -0.0000272 -0.0010000 0.0000000 75: 10 0 10 -1 0 0 1978.3339500 1978.3335115 0.0004385 -0.0010000 0.0000000 76: 8 4 4 -1 0 0 2034.6376000 2034.6411575 -0.0035575 -0.0010000 0.0000000 77: 8 5 4 -1 0 0 2140.7641700 2140.7635551 0.0006149 -0.0010000 0.0000000 78: 8 5 3 -1 0 0 2152.4992200 2152.4982624 0.0009576 -0.0010000 0.0000000 79: 9 2 7 -1 0 0 2168.8249900 2168.8248307 0.0001593 -0.0010000 0.0000000 80: 9 3 7 -1 0 0 2170.2138700 2170.2146972 -0.0008272 -0.0010000 0.0000000 81: 7 7 1 -1 0 0 2194.6493700 2194.6493076 0.0000624 -0.0010000 0.0000000 82: 7 7 0 -1 0 0 2194.6514100 2194.6513219 0.0000881 -0.0010000 0.0000000 NEW PARAMETER (EST. ERROR) -- CHANGE THIS ITERATION 1 911000 a_X 3.200000000( 0)E-03 0.000000000E-03 2 910100 b_X 0.720000000( 0)E-03 0.000000000E-03 3 931000 a_Y 8.500000000( 0)E-03 0.000000000E-03 4 930100 b_Y 1.300000000( 0)E-03 0.000000000E-03 5 901000 A 1302356.2( 68) -0.0 6 900100 (B+C)/2 685591.95(208) -0.00 7 902000 -DelK 2950.73( 90) 0.00 8 901100 -DelJK 2522.31( 72) 0.00 9 900200 -DelJ 182.093( 91) 0.000 10 903000 PhiK 6.661( 37) -0.000 11 902100 PhiKJ 6.373( 83) -0.000 12 901200 PhiJK 2.0276(218) -0.0000 13 900300 PhiJ 0.29705( 98) 0.00000 14 904000 LK 0.02720( 49) 0.00000 15 903100 LKKJ 0.1103( 39) 0.0000 16 902200 LJK -0.05401( 57) 0.00000 17 901300 LJJK 6.985(234)E-03 -0.000E-03 18 904100 PKKJ -0.681( 59)E-03 -0.000E-03 19 920000 (B-C)/4 93996.45(142) -0.00 20 921000 -delK 58.63(110) 0.00 21 920100 -delJ 1.691( 59) 0.000 22 922000 phiK 4.516(160) -0.000 23 921100 phiJK -1.8578(123) -0.0000 24 920200 phiJ 0.03396( 68) -0.00000 25 923000 lK -0.0307( 49) 0.0000 26 922100 lKJ 0.01819(125) 0.00000 MICROWAVE AVG = 0.000000 MHz, IR AVG = 0.00005 MICROWAVE RMS = 0.000000 MHz, IR RMS = 0.00107 END OF ITERATION 1 OLD, NEW RMS ERROR= 1.07006 1.07006 1 2 0.000000 1 3 0.000000 1 4 0.000000 1 5 0.000000 1 6 0.000000 1 7 0.000000 1 8 0.000000 1 9 0.000000 1 10 0.000000 1 11 0.000000 1 12 0.000000 1 13 0.000000 1 14 0.000000 1 15 0.000000 1 16 0.000000 1 17 0.000000 1 18 0.000000 1 19 0.000000 1 20 0.000000 1 21 0.000000 1 22 0.000000 1 23 0.000000 1 24 0.000000 1 25 0.000000 1 26 0.000000 2 1 0.000000 2 3 0.000000 2 4 0.000000 2 5 0.000000 2 6 0.000000 2 7 0.000000 2 8 0.000000 2 9 0.000000 2 10 0.000000 2 11 0.000000 2 12 0.000000 2 13 0.000000 2 14 0.000000 2 15 0.000000 2 16 0.000000 2 17 0.000000 2 18 0.000000 2 19 0.000000 2 20 0.000000 2 21 0.000000 2 22 0.000000 2 23 0.000000 2 24 0.000000 2 25 0.000000 2 26 0.000000 3 1 0.000000 3 2 0.000000 3 4 0.000000 3 5 0.000000 3 6 0.000000 3 7 0.000000 3 8 0.000000 3 9 0.000000 3 10 0.000000 3 11 0.000000 3 12 0.000000 3 13 0.000000 3 14 0.000000 3 15 0.000000 3 16 0.000000 3 17 0.000000 3 18 0.000000 3 19 0.000000 3 20 0.000000 3 21 0.000000 3 22 0.000000 3 23 0.000000 3 24 0.000000 3 25 0.000000 3 26 0.000000 4 1 0.000000 4 2 0.000000 4 3 0.000000 4 5 0.000000 4 6 0.000000 4 7 0.000000 4 8 0.000000 4 9 0.000000 4 10 0.000000 4 11 0.000000 4 12 0.000000 4 13 0.000000 4 14 0.000000 4 15 0.000000 4 16 0.000000 4 17 0.000000 4 18 0.000000 4 19 0.000000 4 20 0.000000 4 21 0.000000 4 22 0.000000 4 23 0.000000 4 24 0.000000 4 25 0.000000 4 26 0.000000 5 1 0.000000 5 2 0.000000 5 3 0.000000 5 4 0.000000 5 6 -0.427570 5 7 -0.936487 5 8 -0.374535 5 9 0.427822 5 10 0.840276 5 11 0.475217 5 12 -0.030597 5 13 -0.373276 5 14 -0.730886 5 15 -0.381898 5 16 -0.091418 5 17 0.112789 5 18 0.284393 5 19 -0.179246 5 20 -0.088629 5 21 0.261626 5 22 0.029537 5 23 0.188560 5 24 -0.283572 5 25 0.031385 5 26 -0.112128 6 1 0.000000 6 2 0.000000 6 3 0.000000 6 4 0.000000 6 5 -0.427570 6 7 0.422584 6 8 -0.471185 6 9 -0.920989 6 10 -0.355429 6 11 0.140198 6 12 0.547471 6 13 0.817437 6 14 0.288344 6 15 -0.079494 6 16 -0.218704 6 17 -0.384989 6 18 0.053924 6 19 0.399648 6 20 0.213430 6 21 -0.634296 6 22 -0.219371 6 23 -0.080643 6 24 0.621337 6 25 0.210092 6 26 0.161750 7 1 0.000000 7 2 0.000000 7 3 0.000000 7 4 0.000000 7 5 -0.936487 7 6 0.422584 7 8 0.278348 7 9 -0.402181 7 10 -0.965790 7 11 -0.529146 7 12 0.162471 7 13 0.333177 7 14 0.887443 7 15 0.481810 7 16 0.033608 7 17 -0.211075 7 18 -0.398897 7 19 0.130855 7 20 0.076446 7 21 -0.187813 7 22 -0.010829 7 23 -0.154018 7 24 0.201101 7 25 -0.037899 7 26 0.052399 8 1 0.000000 8 2 0.000000 8 3 0.000000 8 4 0.000000 8 5 -0.374535 8 6 -0.471185 8 7 0.278348 8 9 0.303885 8 10 -0.277363 8 11 -0.769043 8 12 -0.557354 8 13 -0.240480 8 14 0.285619 8 15 0.640914 8 16 0.270528 8 17 0.262259 8 18 -0.525586 8 19 -0.148696 8 20 -0.118377 8 21 0.240992 8 22 0.221369 8 23 -0.228187 8 24 -0.161680 8 25 -0.319701 8 26 0.017781 9 1 0.000000 9 2 0.000000 9 3 0.000000 9 4 0.000000 9 5 0.427822 9 6 -0.920989 9 7 -0.402181 9 8 0.303885 9 10 0.330349 9 11 -0.052951 9 12 -0.478962 9 13 -0.970349 9 14 -0.273477 9 15 0.033577 9 16 0.100667 9 17 0.372726 9 18 -0.005272 9 19 -0.423323 9 20 -0.247409 9 21 0.762070 9 22 0.283029 9 23 0.066145 9 24 -0.780524 9 25 -0.278925 9 26 -0.217909 10 1 0.000000 10 2 0.000000 10 3 0.000000 10 4 0.000000 10 5 0.840276 10 6 -0.355429 10 7 -0.965790 10 8 -0.277363 10 9 0.330349 10 11 0.567891 10 12 -0.130821 10 13 -0.256799 10 14 -0.972891 10 15 -0.595926 10 16 0.066198 10 17 0.155660 10 18 0.546221 10 19 -0.103843 10 20 -0.062195 10 21 0.138942 10 22 -0.009468 10 23 0.176584 10 24 -0.153402 10 25 0.077329 10 26 -0.064378 11 1 0.000000 11 2 0.000000 11 3 0.000000 11 4 0.000000 11 5 0.475217 11 6 0.140198 11 7 -0.529146 11 8 -0.769043 11 9 -0.052951 11 10 0.567891 11 12 -0.002734 11 13 0.071019 11 14 -0.590629 11 15 -0.920849 11 16 -0.118162 11 17 0.253819 11 18 0.797721 11 19 0.107428 11 20 0.179545 11 21 -0.279343 11 22 -0.346501 11 23 0.150832 11 24 0.232536 11 25 0.405070 11 26 0.225297 12 1 0.000000 12 2 0.000000 12 3 0.000000 12 4 0.000000 12 5 -0.030597 12 6 0.547471 12 7 0.162471 12 8 -0.557354 12 9 -0.478962 12 10 -0.130821 12 11 -0.002734 12 13 0.396095 12 14 0.083006 12 15 -0.040497 12 16 -0.193489 12 17 -0.925449 12 18 0.091409 12 19 0.237610 12 20 -0.251153 12 21 -0.064247 12 22 0.256740 12 23 0.416543 12 24 -0.032291 12 25 -0.095345 12 26 -0.548641 13 1 0.000000 13 2 0.000000 13 3 0.000000 13 4 0.000000 13 5 -0.373276 13 6 0.817437 13 7 0.333177 13 8 -0.240480 13 9 -0.970349 13 10 -0.256799 13 11 0.071019 13 12 0.396095 13 14 0.209273 13 15 -0.081529 13 16 0.029722 13 17 -0.320098 13 18 0.037266 13 19 0.391327 13 20 0.298124 13 21 -0.806988 13 22 -0.361470 13 23 -0.041718 13 24 0.847478 13 25 0.374293 13 26 0.259593 14 1 0.000000 14 2 0.000000 14 3 0.000000 14 4 0.000000 14 5 -0.730886 14 6 0.288344 14 7 0.887443 14 8 0.285619 14 9 -0.273477 14 10 -0.972891 14 11 -0.590629 14 12 0.083006 14 13 0.209273 14 15 0.678083 14 16 -0.079844 14 17 -0.094737 14 18 -0.678564 14 19 0.056966 14 20 0.098680 14 21 -0.119075 14 22 -0.030081 14 23 -0.191750 14 24 0.139400 14 25 -0.045010 14 26 0.097083 15 1 0.000000 15 2 0.000000 15 3 0.000000 15 4 0.000000 15 5 -0.381898 15 6 -0.079494 15 7 0.481810 15 8 0.640914 15 9 0.033577 15 10 -0.595926 15 11 -0.920849 15 12 -0.040497 15 13 -0.081529 15 14 0.678083 15 16 -0.131833 15 17 -0.112687 15 18 -0.952402 15 19 -0.079472 15 20 -0.116446 15 21 0.218423 15 22 0.286390 15 23 -0.267628 15 24 -0.167840 15 25 -0.404174 15 26 -0.076758 16 1 0.000000 16 2 0.000000 16 3 0.000000 16 4 0.000000 16 5 -0.091418 16 6 -0.218704 16 7 0.033608 16 8 0.270528 16 9 0.100667 16 10 0.066198 16 11 -0.118162 16 12 -0.193489 16 13 0.029722 16 14 -0.079844 16 15 -0.131833 16 17 0.010295 16 18 0.092970 16 19 -0.401180 16 20 0.448689 16 21 0.017841 16 22 -0.495022 16 23 0.048092 16 24 0.039332 16 25 0.609575 16 26 0.107300 17 1 0.000000 17 2 0.000000 17 3 0.000000 17 4 0.000000 17 5 0.112789 17 6 -0.384989 17 7 -0.211075 17 8 0.262259 17 9 0.372726 17 10 0.155660 17 11 0.253819 17 12 -0.925449 17 13 -0.320098 17 14 -0.094737 17 15 -0.112687 17 16 0.010295 17 18 -0.001363 17 19 -0.159622 17 20 0.334521 17 21 -0.081237 17 22 -0.384582 17 23 -0.408255 17 24 0.157254 17 25 0.220594 17 26 0.664690 18 1 0.000000 18 2 0.000000 18 3 0.000000 18 4 0.000000 18 5 0.284393 18 6 0.053924 18 7 -0.398897 18 8 -0.525586 18 9 -0.005272 18 10 0.546221 18 11 0.797721 18 12 0.091409 18 13 0.037266 18 14 -0.678564 18 15 -0.952402 18 16 0.092970 18 17 -0.001363 18 19 0.120155 18 20 -0.053145 18 21 -0.114261 18 22 -0.078732 18 23 0.289437 18 24 0.056952 18 25 0.194920 18 26 -0.067371 19 1 0.000000 19 2 0.000000 19 3 0.000000 19 4 0.000000 19 5 -0.179246 19 6 0.399648 19 7 0.130855 19 8 -0.148696 19 9 -0.423323 19 10 -0.103843 19 11 0.107428 19 12 0.237610 19 13 0.391327 19 14 0.056966 19 15 -0.079472 19 16 -0.401180 19 17 -0.159622 19 18 0.120155 19 20 -0.512834 19 21 -0.627035 19 22 0.351338 19 23 0.454361 19 24 0.413969 19 25 -0.289720 19 26 -0.264086 20 1 0.000000 20 2 0.000000 20 3 0.000000 20 4 0.000000 20 5 -0.088629 20 6 0.213430 20 7 0.076446 20 8 -0.118377 20 9 -0.247409 20 10 -0.062195 20 11 0.179545 20 12 -0.251153 20 13 0.298124 20 14 0.098680 20 15 -0.116446 20 16 0.448689 20 17 0.334521 20 18 -0.053145 20 19 -0.512834 20 21 -0.297121 20 22 -0.945710 20 23 -0.631593 20 24 0.480076 20 25 0.834899 20 26 0.819105 21 1 0.000000 21 2 0.000000 21 3 0.000000 21 4 0.000000 21 5 0.261626 21 6 -0.634296 21 7 -0.187813 21 8 0.240992 21 9 0.762070 21 10 0.138942 21 11 -0.279343 21 12 -0.064247 21 13 -0.806988 21 14 -0.119075 21 15 0.218423 21 16 0.017841 21 17 -0.081237 21 18 -0.114261 21 19 -0.627035 21 20 -0.297121 21 22 0.448920 21 23 -0.020521 21 24 -0.950978 21 25 -0.442079 21 26 -0.398956 22 1 0.000000 22 2 0.000000 22 3 0.000000 22 4 0.000000 22 5 0.029537 22 6 -0.219371 22 7 -0.010829 22 8 0.221369 22 9 0.283029 22 10 -0.009468 22 11 -0.346501 22 12 0.256740 22 13 -0.361470 22 14 -0.030081 22 15 0.286390 22 16 -0.495022 22 17 -0.384582 22 18 -0.078732 22 19 0.351338 22 20 -0.945710 22 21 0.448920 22 23 0.409111 22 24 -0.575670 22 25 -0.950030 22 26 -0.786032 23 1 0.000000 23 2 0.000000 23 3 0.000000 23 4 0.000000 23 5 0.188560 23 6 -0.080643 23 7 -0.154018 23 8 -0.228187 23 9 0.066145 23 10 0.176584 23 11 0.150832 23 12 0.416543 23 13 -0.041718 23 14 -0.191750 23 15 -0.267628 23 16 0.048092 23 17 -0.408255 23 18 0.289437 23 19 0.454361 23 20 -0.631593 23 21 -0.020521 23 22 0.409111 23 24 -0.220957 23 25 -0.130411 23 26 -0.784574 24 1 0.000000 24 2 0.000000 24 3 0.000000 24 4 0.000000 24 5 -0.283572 24 6 0.621337 24 7 0.201101 24 8 -0.161680 24 9 -0.780524 24 10 -0.153402 24 11 0.232536 24 12 -0.032291 24 13 0.847478 24 14 0.139400 24 15 -0.167840 24 16 0.039332 24 17 0.157254 24 18 0.056952 24 19 0.413969 24 20 0.480076 24 21 -0.950978 24 22 -0.575670 24 23 -0.220957 24 25 0.515795 24 26 0.587608 25 1 0.000000 25 2 0.000000 25 3 0.000000 25 4 0.000000 25 5 0.031385 25 6 0.210092 25 7 -0.037899 25 8 -0.319701 25 9 -0.278925 25 10 0.077329 25 11 0.405070 25 12 -0.095345 25 13 0.374293 25 14 -0.045010 25 15 -0.404174 25 16 0.609575 25 17 0.220594 25 18 0.194920 25 19 -0.289720 25 20 0.834899 25 21 -0.442079 25 22 -0.950030 25 23 -0.130411 25 24 0.515795 25 26 0.570427 26 1 0.000000 26 2 0.000000 26 3 0.000000 26 4 0.000000 26 5 -0.112128 26 6 0.161750 26 7 0.052399 26 8 0.017781 26 9 -0.217909 26 10 -0.064378 26 11 0.225297 26 12 -0.548641 26 13 0.259593 26 14 0.097083 26 15 -0.076758 26 16 0.107300 26 17 0.664690 26 18 -0.067371 26 19 -0.264086 26 20 0.819105 26 21 -0.398956 26 22 -0.786032 26 23 -0.784574 26 24 0.587608 26 25 0.570427 H2D+, I^r, A Wed Jul 13 14:33:51 2016