Molecule: HD Results of calculations published in Table 5 of: ________________________________________________________________________________ "Rovibrational levels of HD" PHYSICAL CHEMISTRY CHEMICAL PHYSICS 12(32), 9188-9196 (2010) DOI: 10.1039/c0cp00209g by Krzysztof Pachucki and Jacek Komasa ________________________________________________________________________________ v - vibrational quantum number J - rotational quantum number D0 - dissociation energy in atomic units (hartree) and in inverse centimeter (icm) v J D0/hartree D0/icm 0 0 0.1658769515120907 36405.782786 0 1 0.1654703991338321 36316.554853 0 2 0.1646600946772668 36138.713581 0 3 0.1634515718655989 35873.473482 0 4 0.1618529678806907 35522.620462 0 5 0.1598748374919830 35088.471024 0 6 0.1575299211515261 34573.821375 0 7 0.1548328786725634 33981.888971 0 8 0.1518000008593393 33316.249231 0 9 0.1484489112424932 32580.770072 0 10 0.1447982690631881 31779.546726 0 11 0.1408674830572398 30916.838916 0 12 0.1366764436573081 29997.012089 0 13 0.1322452791901839 29024.483901 0 14 0.1275941396738152 28003.676770 0 15 0.1227430100539661 26938.976885 0 16 0.1177115532426579 25834.699756 0 17 0.1125189821646697 24695.062133 0 18 0.1071839591734560 23524.159928 0 19 0.1017245206494128 22325.951671 0 20 0.0961580242874725 21104.246934 0 21 0.0905011164785348 19862.699178 0 22 0.0847697172422442 18604.802443 0 23 0.0789790203373893 17333.891375 0 24 0.0731435064280516 16053.144110 0 25 0.0672769674947344 14765.587641 0 26 0.0613925410351994 13474.105313 0 27 0.0555027529945853 12181.446254 0 28 0.0496195688043077 10890.236572 0 29 0.0437544524122975 9602.992314 0 30 0.0379184337915353 8322.134279 0 31 0.0321221861798232 7050.004971 0 32 0.0263761153437533 5788.888192 0 33 0.0206904646576088 4541.032104 0 34 0.0150754420808710 3308.677093 0 35 0.0095413788327398 2094.090602 0 36 0.0040989359385796 899.612454 1 0 0.1493276110053779 32773.622379 1 1 0.1489386279874209 32688.250474 1 2 0.1481633810845019 32518.103446 1 3 0.1470072426629342 32264.360392 1 4 0.1454781103893262 31928.754650 1 5 0.1435862245120738 31513.533695 1 6 0.1413439403399501 31021.409203 1 7 0.1387654675950259 30455.499847 1 8 0.1358665890029639 29819.269537 1 9 0.1326643701878903 29116.463743 1 10 0.1291768718461050 28351.046330 1 11 0.1254228735085515 27527.138929 1 12 0.1214216162244232 26648.964461 1 13 0.1171925694473489 25720.795979 1 14 0.1127552254436299 24746.911539 1 15 0.1081289228249867 23731.555478 1 16 0.1033326993854265 22678.906106 1 17 0.0983851733366828 21593.049650 1 18 0.0933044512652430 20477.960047 1 19 0.0881080606585145 19337.484134 1 20 0.0828129046083712 18175.331712 1 21 0.0774352362671478 16995.069935 1 22 0.0719906507484080 15800.121535 1 23 0.0664940924044389 14593.766419 1 24 0.0609598757468418 13379.146258 1 25 0.0554017186934803 12159.271788 1 26 0.0498327873263234 10937.032629 1 27 0.0442657519504523 9715.209592 1 28 0.0387128550003286 8496.489580 1 29 0.0331859923300143 7283.483433 1 30 0.0276968107989900 6078.747340 1 31 0.0222568270918154 4884.808921 1 32 0.0168775758752319 3704.199744 1 33 0.0115708006370762 2539.497204 1 34 0.0063487097601072 1393.380734 1 35 0.0012243376750528 268.711060 2 0 0.1335867642295313 29318.905835 2 1 0.1332149975600241 29237.312483 2 2 0.1324741059117367 29074.705561 2 3 0.1313693078655409 28832.230417 2 4 0.1299082731801109 28511.570368 2 5 0.1281009435013133 28114.907353 2 6 0.1259593095283267 27644.873026 2 7 0.1234971563366959 27104.492862 2 8 0.1207297891880614 26497.125977 2 9 0.1176737517893268 25826.403296 2 10 0.1143465477825549 25096.166423 2 11 0.1107663745475221 24310.409222 2 12 0.1069518763788043 23473.223643 2 13 0.1029219220486704 22588.750902 2 14 0.0986954098338318 21661.138691 2 15 0.0942911014133652 20694.504724 2 16 0.0897274846885082 19692.906626 2 17 0.0850226645623750 18660.317963 2 18 0.0801942800291625 17600.610047 2 19 0.0752594455226917 16517.539063 2 20 0.0702347143262820 15414.738036 2 21 0.0651360618966252 14295.713174 2 22 0.0599788871793766 13163.844154 2 23 0.0547780303595204 12022.388020 2 24 0.0495478059944226 10874.486456 2 25 0.0443020511342330 9723.176342 2 26 0.0390541888909418 8571.403710 2 27 0.0338173090696709 7422.041442 2 28 0.0286042691000992 6277.911416 2 29 0.0234278209236226 5141.812361 2 30 0.0183007732984470 4016.555473 2 31 0.0132362053328795 2905.011286 2 32 0.0082477583017565 1810.173713 2 33 0.0033500541142437 735.251892 3 0 0.1186385521136684 26038.152491 3 1 0.1182837389372782 25960.280000 3 2 0.1175766808051198 25805.098677 3 3 0.1165224505626948 25573.721884 3 4 0.1151285023997580 25267.785624 3 5 0.1134044962670963 24889.410014 3 6 0.1113620800464705 24441.151467 3 7 0.1090146411745492 23925.948186 3 8 0.1063770399829417 23347.061637 3 9 0.1034653365841289 22708.016606 3 10 0.1002965219116699 22012.542174 3 11 0.0968882617526079 21264.515532 3 12 0.0932586605984513 20467.910157 3 13 0.0894260500889372 19626.749378 3 14 0.0854088049307077 18745.065978 3 15 0.0812251875619050 17826.868098 3 16 0.0768932215521922 16876.111455 3 17 0.0724305928028831 15896.677655 3 18 0.0678545770183814 14892.358278 3 19 0.0631819916297227 13866.844322 3 20 0.0584291703198539 12823.720617 3 21 0.0536119585031142 11766.464830 3 22 0.0487457285221319 10698.450798 3 23 0.0438454139592396 9622.956066 3 24 0.0389255633498374 8543.173667 3 25 0.0340004148339144 7462.228512 3 26 0.0290839950758366 6383.199098 3 27 0.0241902484743982 5309.145867 3 28 0.0193332069372117 4243.148466 3 29 0.0145272175953555 3188.355727 3 30 0.0097872584390733 2148.054938 3 31 0.0051293958186856 1125.772256 3 32 0.0005714872027758 125.426943 4 0 0.1044717280343438 22928.893999 4 1 0.1041337031343110 22854.706109 4 2 0.1034601524268811 22706.878815 4 3 0.1024560118222440 22486.495426 4 4 0.1011285334228994 22195.147594 4 5 0.0994871139510014 21834.897661 4 6 0.0975430822811325 21408.232026 4 7 0.0953094577465652 20918.008105 4 8 0.0928006913952369 20367.397535 4 9 0.0900324018869879 19759.828216 4 10 0.0870211164486168 19098.927454 4 11 0.0837840255247648 18388.468117 4 12 0.0803387577307898 17632.319238 4 13 0.0767031797019386 16834.402090 4 14 0.0728952235896881 15998.652326 4 15 0.0689327434184350 15128.988451 4 16 0.0648334003330094 14229.286639 4 17 0.0606145759548714 13303.361713 4 18 0.0562933126088826 12354.954033 4 19 0.0518862790573302 11387.721969 4 20 0.0474097605590791 10405.239722 4 21 0.0428796725615368 9411.000329 4 22 0.0383115981557933 8408.423882 4 23 0.0337208506818145 7400.871273 4 24 0.0291225647416490 6391.664161 4 25 0.0245318217325360 5384.112532 4 26 0.0199638205411759 4381.552154 4 27 0.0154341116151646 3387.395957 4 28 0.0109589260801583 2405.206262 4 29 0.0065556571576403 1438.800438 4 30 0.0022436039562485 492.414151 5 0 0.0910800030528610 19989.750095 5 1 0.0907587095471302 19919.234322 5 2 0.0901185573881359 19778.737162 5 3 0.0891643554556621 19569.314045 5 4 0.0879031689415279 19292.515600 5 5 0.0863441521332873 18950.350960 5 6 0.0844983417408944 18545.242405 5 7 0.0823784223652469 18079.973881 5 8 0.0799984761915818 17557.636072 5 9 0.0773737284505723 16981.570529 5 10 0.0745202988960850 16355.315130 5 11 0.0714549677542314 15682.552707 5 12 0.0681949625940109 14967.064277 5 13 0.0647577706017520 14212.687831 5 14 0.0611609789816600 13423.283316 5 15 0.0574221447709890 12602.704056 5 16 0.0535586943138118 11754.774691 5 17 0.0495878519974283 10883.275538 5 18 0.0455265976282814 9991.933232 5 19 0.0413916520023933 9084.417565 5 20 0.0371994908505662 8164.344542 5 21 0.0329663884701829 7235.285957 5 22 0.0287084941870518 6300.786179 5 23 0.0244419476789537 5364.387457 5 24 0.0201830438539918 4429.666110 5 25 0.0159484658257073 3500.283658 5 26 0.0117556184783702 2580.060032 5 27 0.0076231215990593 1673.081803 5 28 0.0035715761200717 783.870352 6 0 0.0784625382247870 17220.536653 6 1 0.0781580423768787 17153.707539 6 2 0.0775514269830930 17020.570849 6 3 0.0766473854285038 16822.156662 6 4 0.0754528136707584 16559.978466 6 5 0.0739766478139174 16235.997509 6 6 0.0722296637622794 15852.578828 6 7 0.0702242504937842 15412.441490 6 8 0.0679741689172048 14918.605666 6 9 0.0654943077363094 14374.339047 6 10 0.0628004464232486 13783.104829 6 11 0.0599090336346773 13148.513073 6 12 0.0568369874476198 12474.276868 6 13 0.0536015219104830 11764.174262 6 14 0.0502200027713535 11022.016596 6 15 0.0467098339898307 10251.623596 6 16 0.0430883758223464 9456.805400 6 17 0.0393728949527619 8641.351606 6 18 0.0355805473472094 7809.027513 6 19 0.0317283953530414 6963.577874 6 20 0.0278334622035864 6108.738857 6 21 0.0239128299048011 5248.259528 6 22 0.0199837911591075 4385.935198 6 23 0.0160640739287142 3525.656704 6 24 0.0121721713796476 2671.482827 6 25 0.0083278368047616 1827.748913 6 26 0.0045528584984663 999.236941 6 27 0.0008723563294709 191.460084 7 0 0.0666246286716927 14622.415818 7 1 0.0663371401601894 14559.319383 7 2 0.0657644877469314 14433.636706 7 3 0.0649112632320903 14246.375570 7 4 0.0637842146820945 13999.017005 7 5 0.0623920893486074 13693.480810 7 6 0.0607454403797234 13332.083135 7 7 0.0588564087826107 12917.488621 7 8 0.0567384925236008 12452.659731 7 9 0.0544063140844768 11940.805728 7 10 0.0518753965175904 11385.333528 7 11 0.0491619563109997 10789.802239 7 12 0.0462827195384312 10157.882810 7 13 0.0432547660217001 9493.323828 7 14 0.0400954048309112 8799.924195 7 15 0.0368220835031373 8081.513203 7 16 0.0334523330091182 7341.938456 7 17 0.0300037508581320 6585.062159 7 18 0.0264940260028793 5814.766591 7 19 0.0229410117295976 5034.970093 7 20 0.0193628571965388 4249.655945 7 21 0.0157782161318985 3462.918169 7 22 0.0122065653945604 2679.031440 7 23 0.0086686932020560 1902.558245 7 24 0.0051874727248948 1138.518664 7 25 0.0017891646849135 392.676260 8 0 0.0555786277387811 12198.098835 8 1 0.0553085273603017 12138.818654 8 2 0.0547706080857229 12020.759020 8 3 0.0539693775201884 11844.909237 8 4 0.0529114625715997 11612.723743 8 5 0.0516054584895489 11326.088979 8 6 0.0500617436719979 10987.282738 8 7 0.0482922716513025 10598.928519 8 8 0.0463103520981814 10163.947455 8 9 0.0441304321578109 9685.510330 8 10 0.0417678882295660 9166.991872 8 11 0.0392388366987697 8611.929220 8 12 0.0365599704987997 8023.986048 8 13 0.0337484269508451 7406.923564 8 14 0.0308216913726213 6764.579352 8 15 0.0277975406836024 6100.854995 8 16 0.0246940319192497 5419.713553 8 17 0.0215295426355494 4725.188434 8 18 0.0183228743189926 4021.406087 8 19 0.0150934375931565 3312.626652 8 20 0.0118615521205530 2603.309779 8 21 0.0086489212791302 1898.218809 8 22 0.0054793980672508 1202.588871 8 23 0.0023802885693173 522.412956 9 0 0.0453451860511177 9952.117993 9 1 0.0450930638953787 9896.783576 9 2 0.0445910690565760 9786.608444 9 3 0.0438436475476643 9622.568383 9 4 0.0428573399482756 9406.098887 9 5 0.0416406377052610 9139.063610 9 6 0.0402038076027299 8823.715853 9 7 0.0385586958428967 8462.655556 9 8 0.0367185236543734 8058.784444 9 9 0.0346976859319730 7615.261829 9 10 0.0325115633775287 7135.463388 9 11 0.0301763573087195 6622.944896 9 12 0.0277089550910511 6081.412704 9 13 0.0251268334164155 5514.702502 9 14 0.0224480067499658 4926.768006 9 15 0.0196910297563593 4321.681497 9 16 0.0168750661305952 3703.648918 9 17 0.0140200434971682 3077.043878 9 18 0.0111469279614027 2446.467905 9 19 0.0082781793258125 1816.850356 9 20 0.0054385056672988 1193.614027 9 21 0.0026561702552445 582.961988 10 0 0.0359549177011380 7891.192308 10 1 0.0357216262604559 7839.990755 10 2 0.0352572758396375 7738.077618 10 3 0.0345662814185923 7586.421872 10 4 0.0336551445251128 7386.450438 10 5 0.0325323185880446 7140.018630 10 6 0.0312080456195696 6849.374308 10 7 0.0296941758470362 6517.118298 10 8 0.0280039825863172 6146.163755 10 9 0.0261519844567224 5739.697148 10 10 0.0241537865037563 5301.143389 10 11 0.0220259510627951 4834.137490 10 12 0.0197859091765226 4342.505123 10 13 0.0174519242859871 3830.254649 10 14 0.0150431231067530 3301.583899 10 15 0.0125796153995661 2760.906453 10 16 0.0100827382162828 2212.905253 10 17 0.0075754882358134 1662.627488 10 18 0.0050832659769998 1115.647926 10 19 0.0026351985765574 578.359236 10 20 0.0002667051662727 58.535018 11 0 0.0274506390770252 6024.718892 11 1 0.0272373690229186 5977.911526 11 2 0.0268130654847246 5884.787663 11 3 0.0261821555681914 5746.318942 11 4 0.0253511688792520 5563.938445 11 5 0.0243286149518671 5339.513798 11 6 0.0231248365989211 5075.314988 11 7 0.0217518513283801 4773.979552 11 8 0.0202231941943100 4438.478091 11 9 0.0185537758852687 4072.083123 11 10 0.0167597703707469 3678.344424 11 11 0.0148585476335587 3261.074265 11 12 0.0128686700245434 2824.346610 11 13 0.0108099775046603 2372.515828 11 14 0.0087038010998747 1910.263538 11 15 0.0065733733671764 1442.688697 11 16 0.0044445698399301 975.470327 11 17 0.0023472752169311 515.167363 11 18 0.0003181326061082 69.822036 12 0 0.0198904117577538 4365.440788 12 1 0.0196988032803306 4323.387588 12 2 0.0193178582835585 4239.779826 12 3 0.0187520802329101 4115.605897 12 4 0.0180081274194733 3952.327127 12 5 0.0170947081831616 3751.854777 12 6 0.0160224593676803 3516.523363 12 7 0.0148038219833697 3249.063373 12 8 0.0134529302477758 2952.576907 12 9 0.0119855326550667 2630.520361 12 10 0.0104189676373220 2286.699081 12 11 0.0087722238780874 1925.280602 12 12 0.0070661306872943 1550.836428 12 13 0.0053237566280002 1168.429523 12 14 0.0035711696071392 783.781133 12 15 0.0018389049105509 403.592977 12 16 0.0001650941316571 36.233974 13 0 0.0133517305051378 2930.366131 13 1 0.0131840446843273 2893.563347 13 2 0.0128510297704099 2820.475022 13 3 0.0123573676462603 2712.128709 13 4 0.0117100071482926 2570.049502 13 5 0.0109180889492034 2396.243547 13 6 0.0099928678328155 2193.180984 13 7 0.0089476514988889 1963.782514 13 8 0.0077977811869651 1711.415152 13 9 0.0065606892684735 1439.904859 13 10 0.0052560877447068 1153.577920 13 11 0.0039063818135702 857.351709 13 12 0.0025374988628328 556.916628 13 13 0.0011805911280780 259.109803 14 0 0.0079373615805352 1742.049507 14 1 0.0077967639550356 1711.191895 14 2 0.0075180957314722 1650.031289 14 3 0.0071063961226147 1559.673669 14 4 0.0065691940767866 1441.771448 14 5 0.0059164933322587 1298.520193 14 6 0.0051607897918185 1132.662437 14 7 0.0043171606137007 947.507234 14 8 0.0034034909446434 746.979920 14 9 0.0024409619728308 535.729229 14 10 0.0014550727577427 319.351557 14 11 0.0004779489245192 104.897664 15 0 0.0037835946414249 830.403039 15 1 0.0036746847996977 806.500092 15 2 0.0034597356104315 759.324198 15 3 0.0031445147259263 690.141210 15 4 0.0027377581307094 600.868457 15 5 0.0022513283567160 494.109461 15 6 0.0017005479566171 373.227136 15 7 0.0011049058020033 242.498794 15 8 0.0004896772475037 107.471733 16 0 0.0010711621355876 235.092915 16 1 0.0010012216108575 219.742744 16 2 0.0008650504154940 189.856621 16 3 0.0006702915077853 147.111982 16 4 0.0004291307555862 94.183314 16 5 0.0001599418170371 35.103171 17 0 0.0000165961405702 3.642432 17 1 0.0000018934322121 0.415560