G4 ARCHIVE ENTRIES chlorotrifluoromethane \\1,2\Cl,0,2.7646610832,-0.0958268433,-0.2303602379\C, 0,0.9832359568,0.7374616025,1.4039868402\F,0,1.3589782144,0.042284056, 2.3674074216\F,0,1.3393201847,1.9309548435,1.3418981946\F,0,0.00220456 09,0.3622163413,0.7338677816\\Version=EM64L-G09RevA.02\State=2-A\MP2/G TBas1=-795.9911499\MP4/GTBas1=-796.0362178\CCSD(T)/G3Bas1=-796.0289169 \MP2/GTBas2=-796.0059022\MP4/GTBas2=-796.0531314\MP2/GTBas3=-796.24268 59\MP4/GTBas3=-796.309674\HF/GTLargeXP=-795.4195536\MP2/GTLargeXP=-796 .9713109\HF/GFHFB1=-795.4635068\HF/GFHFB2=-795.4712583\G4=-797.1817408 \FreqCoord=5.2244522976,-0.18108649,-0.4353177616,1.8580466824,1.39360 04622,2.6531506221,2.5680966457,0.0799052855,4.4737516718,2.5309483533 ,3.6489758292,2.5358200859,0.0041660163,0.684489686,1.386809125\PG=C01 [X(C1Cl1F3)]\NImag=0\\0.01267008,-0.00280167,0.00677693,-0.00930245,0 .00412002,0.01006437,0.01793618,-0.01009932,-0.01253598,0.53097879,-0. 01186833,0.00362050,0.00657435,0.17849305,0.79987714,-0.01295438,0.005 53082,0.01847951,0.31865373,-0.15434405,0.57329527,-0.00669351,0.00266 689,0.00541550,-0.10889163,0.05859967,-0.08959817,0.11239232,0.0024161 2,0.00004726,0.00443346,0.06803107,-0.21435238,0.16509674,-0.07306404, 0.24834413,0.01243782,-0.00190783,-0.01892124,-0.12874173,0.20055993,- 0.32000963,0.15029311,-0.24036469,0.38343218,-0.00258508,0.00573076,0. 00681610,-0.11335228,-0.10760728,-0.00525883,0.02510419,0.00056612,-0. 00023542,0.11112875,0.01144243,-0.01235747,-0.01159682,-0.14326053,-0. 46307325,0.04362454,0.00002475,-0.05829073,0.02412201,0.15992789,0.567 67258,0.00659917,-0.00776600,-0.00505916,-0.00853263,0.01664894,-0.077 20712,0.00095822,0.05705276,-0.00509269,0.01638957,-0.03975278,0.07179 810,-0.02132767,0.00450334,0.00960683,-0.32667106,-0.11761711,-0.21084 235,-0.02191137,0.00205073,-0.03375378,-0.02029558,-0.02813455,-0.0154 1433,0.39020567,0.00081145,0.00191278,-0.00353101,-0.09316428,-0.12607 202,-0.05990805,0.01177273,0.02425172,0.01759058,-0.05861749,-0.033951 14,-0.02618292,0.13919759,0.13385866,0.00321983,0.00002300,-0.00456348 ,-0.16884339,-0.06943918,-0.19455802,-0.06706866,0.01378172,-0.0394086 3,-0.01771142,-0.01639695,0.01556087,0.25040364,0.07203140,0.22296926\ \0.00002129,0.00001307,-0.00000407,0.00001540,0.00012109,-0.00001820,0 .00000790,-0.00001190,-0.00009091,-0.00002987,-0.00007195,0.00007040,- 0.00001472,-0.00005031,0.00004278\\\@ cyanogen chloride \\1,2\C,0,0.1139552845,-0.0070150685,0.\Cl,0,-1.450227 536,-0.116516772,0.\N,0,1.3171822516,0.0774518405,0.\\Version=EM64L-G0 9RevA.02\State=2-A'\MP2/GTBas1=-551.7173884\MP4/GTBas1=-551.7640602\CC SD(T)/G3Bas1=-551.7689886\MP2/GTBas2=-551.7211031\MP4/GTBas2=-551.7681 423\MP2/GTBas3=-551.8106739\MP4/GTBas3=-551.8666529\HF/GTLargeXP=-551. 4161836\MP2/GTLargeXP=-552.2910165\HF/GFHFB1=-551.4317494\HF/GFHFB2=-5 51.4347762\G4=-552.416845\FreqCoord=0.215344279,-0.0132565583,0.,-2.74 05328734,-0.220184789,0.,2.4891137225,0.1463627671,0.\PG=CS [SG(C1Cl1N 1)]\NImag=0\\1.22036325,0.08279363,0.04588644,0.,0.,0.05659874,-0.3875 1045,-0.02591218,0.,0.42790687,-0.02591228,-0.01923451,0.,0.02943120,0 .00963587,0.,0.,-0.02460087,0.,0.,0.01070074,-0.83285280,-0.05688145,0 .,-0.04039642,-0.00351892,0.,0.87324922,-0.05688135,-0.02665193,0.,-0. 00351902,0.00959864,0.,0.06040037,0.01705328,0.,0.,-0.03199787,0.,0.,0 .01390013,0.,0.,0.01809775\\-0.00004483,-0.00001318,0.,0.00002491,0.00 000611,0.,0.00001992,0.00000707,0.\\\@ difluorodichloromethane \\1,2\C,0,-0.184979588,0.0718425053,-0.3436609373\Cl,0 ,-0.1401347321,1.9000230584,-0.392968457\F,0,-0.2013389263,-0.45217282 22,-1.5118669587\Cl,0,1.4787521815,0.0417830833,0.4179125306\F,0,-1.09 28689352,-0.3779758247,0.4393038224\\Version=EM64L-G09RevA.02\State=2- A\MP2/GTBas1=-1155.9920265\MP4/GTBas1=-1156.0478483\CCSD(T)/G3Bas1=-11 56.0425927\MP2/GTBas2=-1156.0123877\MP4/GTBas2=-1156.0698553\MP2/GTBas 3=-1156.2391896\MP4/GTBas3=-1156.3199045\HF/GTLargeXP=-1155.4292895\MP 2/GTLargeXP=-1157.225641\HF/GFHFB1=-1155.4715083\HF/GFHFB2=-1155.47871 16\G4=-1157.4506772\FreqCoord=-0.3495607615,0.1357626596,-0.649425054, -0.2648162653,3.5905232265,-0.7426027626,-0.3804754306,-0.8544827987,- 2.8570145014,2.7944366415,0.0789585844,0.7897402303,-2.0652229866,-0.7 142707936,0.8301639135\PG=C01 [X(C1Cl2F2)]\NImag=0\\0.36529326,0.13351 470,0.29560031,-0.13136770,0.07421264,0.57889363,-0.01859780,0.0090924 4,0.00062837,0.03312770,-0.03085081,-0.04749675,-0.01307625,-0.0029322 9,0.15184957,0.00215296,0.00517810,-0.01993590,0.00255146,-0.00606034, 0.02920148,-0.06494375,-0.01826099,-0.01582844,0.00645506,0.00487529,0 .00071568,0.07176963,-0.01046547,-0.12310612,-0.14216357,-0.00349953,- 0.04051897,-0.02856138,0.01451026,0.13981189,0.00205059,-0.12663974,-0 .34611941,-0.00171996,-0.02116727,-0.00511403,-0.00328934,0.16876987,0 .44683372,-0.04328904,-0.02966651,-0.00919051,-0.01925741,0.04247033,- 0.01117963,-0.01513988,-0.00214551,-0.02765244,0.12963525,0.01023916,- 0.01712368,0.00453912,0.02179878,-0.02668638,0.01104463,-0.01066269,0. 00423883,-0.01158541,-0.00751358,0.03472804,-0.01071275,-0.01369985,-0 .02507810,-0.01038945,0.02049348,-0.00387673,-0.03041578,-0.00452021,- 0.02827760,0.04682569,-0.00370368,0.04932672,-0.23846267,-0.09467964,0 .15575829,-0.00172754,-0.01356253,0.00575954,0.00185894,0.00160025,0.0 3061115,-0.05194893,-0.01386168,0.00469229,0.29028019,-0.10243759,-0.1 0787376,0.07648807,-0.02445941,-0.03714746,0.01839899,0.00953813,0.019 57437,-0.00937746,-0.00314473,0.00484319,0.00143026,0.12050359,0.12060 367,0.13787691,0.06094886,-0.18776022,0.00892958,0.01981037,-0.0002748 2,0.04881789,0.00647529,-0.06732268,0.00119689,-0.00029466,0.00790571, -0.19682127,-0.08693985,0.24745200\\-0.00009375,-0.00000747,-0.0000608 2,0.00007924,0.00001427,0.00002135,-0.00000993,-0.00002513,-0.00004647 ,0.00006768,0.00007082,0.00003969,-0.00004324,-0.00005248,0.00004626\\ \@ phosgene \\1,2\C,0,-0.0184201172,-0.0814110367,0.\Cl,0,1.595988 7427,0.3564766868,0.\O,0,-0.2825037207,-1.2831482539,0.\Cl,0,-1.300504 9048,0.9929826038,0.\\Version=EM64L-G09RevA.02\State=2-A'\MP2/GTBas1=- 1031.8198084\MP4/GTBas1=-1031.8782795\CCSD(T)/G3Bas1=-1031.8819468\MP2 /GTBas2=-1031.8274382\MP4/GTBas2=-1031.8866343\MP2/GTBas3=-1031.985641 3\MP4/GTBas3=-1032.0635319\HF/GTLargeXP=-1031.4171953\MP2/GTLargeXP=-1 032.8393141\HF/GFHFB1=-1031.44514\HF/GFHFB2=-1031.4498098\G4=-1033.027 2437\FreqCoord=-0.0348089768,-0.1538445635,0.,3.0159816348,0.673643310 7,0.,-0.5338546637,-2.4247987877,0.,-2.4575981045,1.8764651759,0.\PG=C S [SG(C1Cl2O1)]\NImag=0\\0.29334230,0.05881020,0.54803608,0.,0.,0.1194 1374,-0.17802889,-0.00662790,0.,0.26022527,-0.06456732,-0.01998543,0., 0.07092253,0.04987380,0.,0.,-0.03662773,0.,0.,0.01125612,0.00783615,-0 .10645113,0.,-0.04662981,-0.02559543,0.,0.04933764,-0.10645147,-0.4531 8661,0.,-0.06391765,-0.03516882,0.,0.11782299,0.55961018,0.,0.,-0.0461 5831,0.,0.,0.01414542,0.,0.,0.01786747,-0.12314956,0.05426883,0.,-0.03 556658,0.01924022,0.,-0.01054398,0.05254613,0.,0.16926012,0.11220859,- 0.07486403,0.,-0.00037698,0.00528046,0.,0.01422357,-0.07125474,0.,-0.1 2605519,0.14083832,0.,0.,-0.03662770,0.,0.,0.01122619,0.,0.,0.01414541 ,0.,0.,0.01125610\\-0.00000483,-0.00002233,0.,0.00010398,-0.00004680,0 .,0.00001491,0.00006801,0.,-0.00011407,0.00000112,0.\\\@ fluorotrichloromethane \\1,2\Cl,0,1.6978272935,2.1662939106,2.646814728\C,0,1 .2817489294,1.1145784188,1.2753518213\Cl,0,0.0082461658,0.0002082825,1 .8202340324\Cl,0,0.587635913,2.1421810098,0.0015209307\F,0,2.320151831 5,0.4685385643,0.8454785301\\Version=EM64L-G09RevA.02\State=2-A\MP2/GT Bas1=-1515.9890416\MP4/GTBas1=-1516.0533572\CCSD(T)/G3Bas1=-1516.04823 89\MP2/GTBas2=-1516.0062421\MP4/GTBas2=-1516.0719209\MP2/GTBas3=-1516. 2246152\MP4/GTBas3=-1516.3174066\HF/GTLargeXP=-1515.4342383\MP2/GTLarg eXP=-1517.4637842\HF/GFHFB1=-1515.4752939\HF/GFHFB2=-1515.4815803\G4=- 1517.7015696\FreqCoord=3.2084286056,4.0937022143,5.0017549603,2.422154 4477,2.1062479651,2.4100656653,0.0155829951,0.0003935968,3.439743819,1 .1104709414,4.0481354356,0.0028741425,4.3844515483,0.8854095693,1.5977 228732\PG=C01 [X(C1Cl3F1)]\NImag=0\\0.03874082,0.01596049,0.07144658,0 .02926460,0.08286634,0.11215536,-0.03359547,0.00221320,-0.01387366,0.3 5410554,-0.01095649,-0.02013717,-0.04935857,-0.13370513,0.22261535,-0. 02943022,-0.04534060,-0.04339593,-0.08911071,0.05538242,0.17568523,-0. 00967040,-0.02233775,-0.00980256,-0.04542300,-0.01739191,0.02720076,0. 10801798,-0.02059386,-0.02042026,-0.01232001,-0.03662730,-0.05872505,0 .01611494,0.06747180,0.08988564,-0.00187922,-0.00299300,-0.00797541,0. 02736315,0.00801058,0.00743776,-0.04374157,-0.02910540,0.02391889,-0.0 0017690,-0.00421129,-0.01667935,-0.01737460,0.02758451,0.00184123,-0.0 0283561,-0.00557224,-0.00325376,0.04750078,0.00047219,-0.00468866,0.00 606137,0.03368905,-0.01861872,0.02951103,-0.01330510,-0.01989005,0.018 09573,-0.04751732,0.06866518,-0.01697146,-0.00512395,-0.03326927,-0.01 388183,0.04164798,-0.06117185,0.00474791,0.02342399,-0.01533677,0.0384 3399,-0.06862274,0.10620150,0.00470194,0.00837535,0.01109096,-0.257712 46,0.13446902,0.08949894,-0.05008897,-0.00467840,0.02151141,-0.0271136 7,0.02666118,-0.01232861,0.33021317,0.01511766,-0.02620050,-0.02724912 ,0.13443018,-0.12513441,-0.05566778,-0.01443704,0.00914972,0.00599208, 0.02971635,-0.02546775,0.00867472,-0.16482716,0.16765295,0.01901629,-0 .02940879,-0.02751474,0.08950306,-0.05568242,-0.07855520,0.02159545,0. 00188649,-0.00804447,-0.02034210,0.01495462,0.00357640,-0.10977270,0.0 6825010,0.11053800\\-0.00000850,0.00001892,0.00002058,0.00017432,-0.00 004418,-0.00003270,-0.00006518,-0.00001364,0.00003386,-0.00004133,0.00 004133,-0.00005747,-0.00005931,-0.00000243,0.00003572\\\@ tetrachloromethane \\1,2\Cl,0,-0.0348469577,2.0143897721,2.1781860993\C,0,1 .1669281687,1.1065538516,1.2507828708\Cl,0,0.3229806958,0.229295881,-0 .0326661445\Cl,0,2.011750445,0.019162611,2.3610737544\Cl,0,2.368197648 2,2.1628978844,0.49591342\\Version=EM64L-G09RevA.02\State=2-A\MP2/GTBa s1=-1875.9924036\MP4/GTBas1=-1876.0646374\CCSD(T)/G3Bas1=-1876.060117\ MP2/GTBas2=-1876.0031134\MP4/GTBas2=-1876.0763191\MP2/GTBas3=-1876.221 6219\MP4/GTBas3=-1876.3259697\HF/GTLargeXP=-1875.456947\MP2/GTLargeXP= -1877.7113659\HF/GFHFB1=-1875.4974018\HF/GFHFB2=-1875.5027919\G4=-1877 .9614528\FreqCoord=-0.0658512067,3.8066449941,4.1161751942,2.205174655 6,2.0910837308,2.3636370775,0.6103450613,0.4333064185,-0.061730067,3.8 016573888,0.0362120867,4.4617827754,4.4752449836,4.0872846549,0.937140 5494\PG=C01 [X(C1Cl4)]\NImag=0\\0.09727850,-0.05800194,0.06995733,-0.0 6439430,0.04589858,0.06274363,-0.04139288,0.04299874,0.04392690,0.1078 5398,0.02826180,-0.04220944,-0.02493860,-0.00001587,0.18841368,0.04260 896,-0.03542318,-0.01774058,-0.00005126,0.00707622,0.10844681,-0.00334 999,0.00008564,0.00119524,-0.01255181,-0.01872454,-0.04178304,0.054687 31,0.00642385,-0.01501395,-0.01931607,-0.02916124,-0.04034697,-0.04655 119,0.03918184,0.06699731,0.00643450,-0.02043632,-0.02631384,-0.042650 55,-0.03176295,-0.04816520,0.06267939,0.06072669,0.10807123,-0.0227797 2,0.02001768,0.00058414,-0.01259861,0.02573548,-0.03783423,-0.01604355 ,0.00408784,-0.01878787,0.05477366,0.02155762,-0.01906492,-0.00119274, 0.03618748,-0.05405135,0.04550663,-0.00073512,0.00621959,-0.00028320,- 0.04957055,0.08910299,-0.00394526,0.00556631,-0.00282919,-0.03696816,0 .03074314,-0.03452109,-0.01919983,0.00659356,-0.02948923,0.05491759,-0 .06407577,0.08597909,-0.02975591,-0.00510012,0.01868801,-0.04131069,-0 .03525687,0.03705958,-0.02274195,-0.02053229,-0.00767547,-0.00335178,- 0.00743944,0.00519566,0.09716033,0.00175866,0.00633098,-0.00045117,-0. 05000911,-0.05180591,0.02939152,-0.01980782,-0.01785598,-0.00824423,-0 .00027045,-0.02220631,0.02117276,0.06832872,0.08553723,0.01929610,0.00 439462,-0.01586002,0.03574307,0.01888219,-0.00801994,-0.00289176,-0.00 145300,-0.00410296,0.00112037,0.02004507,-0.01913959,-0.05326778,-0.04 186887,0.04712250\\0.00012387,0.00000296,-0.00010231,0.00000595,0.0000 3879,0.00000169,0.00010578,-0.00001769,0.00012350,-0.00010049,0.000004 74,-0.00012968,-0.00013512,-0.00002879,0.00010680\\\@ carbonic difluoride \\1,2\C,0,0.006014447,0.0166399684,0.\F,0,-1.0736550628 ,0.6343857462,0.\F,0,1.0889633203,0.6286041824,0.\O,0,0.0026072955,-1. 251029897,0.\\Version=EM64L-G09RevA.02\State=2-A'\MP2/GTBas1=-311.7826 191\MP4/GTBas1=-311.8189189\CCSD(T)/G3Bas1=-311.8146405\MP2/GTBas2=-31 1.7919997\MP4/GTBas2=-311.829778\MP2/GTBas3=-311.9710677\MP4/GTBas3=-3 12.0183615\HF/GTLargeXP=-311.3176274\MP2/GTLargeXP=-312.3170275\HF/GFH FB1=-311.3483432\HF/GFHFB2=-311.3546558\G4=-312.4673902\FreqCoord=0.01 13656576,0.0314449831,0.,-2.0289140298,1.1988153229,0.,2.0578424441,1. 1878897507,0.,0.0049270745,-2.3641038893,0.\PG=CS [SG(C1F2O1)]\NImag=0 \\0.82386061,0.00014522,0.86968258,0.,0.,0.21929410,-0.40129322,0.1831 3446,0.,0.49877398,0.21806986,-0.20448610,0.,-0.24573251,0.22500107,0. ,0.,-0.07381486,0.,0.,0.02485797,-0.40345709,-0.18208563,0.,-0.0800312 2,-0.01403129,0.,0.50141755,-0.21701803,-0.20235497,0.,0.01460743,0.02 750766,0.,0.24426495,0.22238704,0.,0.,-0.07381652,0.,0.,0.02485031,0., 0.,0.02485990,-0.01911031,-0.00119405,0.,-0.01744954,0.04169394,0.,-0. 01792924,-0.04185436,0.,0.05448909,-0.00119706,-0.46284150,0.,0.047990 62,-0.04802262,0.,-0.04814803,-0.04753972,0.,0.00135447,0.55840385,0., 0.,-0.07166271,0.,0.,0.02410658,0.,0.,0.02410631,0.,0.,0.02344982\\0.0 0000681,-0.00000175,0.,-0.00003626,-0.00000943,0.,0.00003120,-0.000010 49,0.,-0.00000175,0.00002167,0.\\\@ trichloromethane \\1,2\Cl,0,-0.0102456977,0.0311999653,1.2291513046\C,0 ,1.4924566414,0.943598308,1.0652815136\Cl,0,2.8078208612,-0.0059255758 ,1.762269416\Cl,0,1.3400527851,2.4493282667,1.9746141361\H,0,1.6935254 1,1.1545090357,0.0169836297\\Version=EM64L-G09RevA.02\State=2-A\MP2/GT Bas1=-1416.9847362\MP4/GTBas1=-1417.0453316\CCSD(T)/G3Bas1=-1417.04375 45\MP2/GTBas2=-1416.991866\MP4/GTBas2=-1417.0531805\MP2/GTBas3=-1417.1 656935\MP4/GTBas3=-1417.2510231\HF/GTLargeXP=-1416.564338\MP2/GTLargeX P=-1418.2972565\HF/GFHFB1=-1416.595687\HF/GFHFB2=-1416.599946\G4=-1418 .4880609\FreqCoord=-0.0193615627,0.0589593897,2.3227593416,2.820334317 4,1.7831423816,2.0130903152,5.3060124578,-0.0111977154,3.3302065686,2. 5323327675,4.6285596337,3.7314799353,3.200299224,2.1817058955,0.032094 4089\PG=C01 [X(C1H1Cl3)]\NImag=0\\0.14663658,0.08461763,0.05856471,-0. 01365568,-0.00968720,0.02568345,-0.08334682,-0.05741855,0.00309325,0.1 7493563,-0.05979371,-0.02449484,0.00629582,0.01284914,0.17650310,0.032 05476,0.02366600,-0.04122502,-0.06428124,-0.06743740,0.49781214,-0.036 78369,-0.00653976,-0.00769310,-0.06328371,0.05459333,-0.04033224,0.117 40587,0.00737977,-0.00040053,0.00178949,0.04588137,-0.02742848,0.04425 035,-0.07702703,0.06287200,-0.00894414,-0.00081738,0.00567268,-0.01180 831,0.02822397,-0.05848443,0.04974180,-0.04122209,0.05074374,-0.008808 60,-0.00825873,-0.00200841,0.00910614,0.00392505,0.01503431,-0.0092224 0,0.01128023,-0.00345767,0.00898357,-0.02179819,-0.02655375,-0.0100193 4,0.01026529,-0.08611464,-0.06081381,0.02349339,-0.02739958,-0.0014327 1,-0.01273136,0.15112101,-0.00672335,-0.01102613,0.00389444,0.01547055 ,-0.02738018,-0.07179341,0.00116928,-0.00741772,0.00512897,-0.01097695 ,0.07712751,0.07040901,-0.01769747,-0.01240059,0.02026394,-0.03741124, -0.01157381,0.05752440,-0.00811606,0.01248566,-0.02553168,-0.00005871, 0.00077088,0.00106046,0.06328349,-0.01040550,-0.00711560,0.01162123,-0 .01157724,-0.03846513,0.06033486,0.00548006,-0.00764341,0.01524821,0.0 0578481,-0.01105304,-0.03130348,0.01071787,0.06427718,-0.00273159,-0.0 0213529,0.00597445,0.05752575,0.06029779,-0.32630929,-0.00288575,0.002 59997,-0.00306096,0.00140872,-0.00486165,-0.00763901,-0.05331713,-0.05 590081,0.33103480\\0.00002357,0.00000285,0.00002397,-0.00004306,0.0000 0843,-0.00003630,0.00002817,-0.00000231,0.00002158,-0.00000641,-0.0000 0389,-0.00000236,-0.00000226,-0.00000509,-0.00000688\\\@ trifluoromethane \\1,2\F,0,2.0512285173,0.1048253477,0.45649031\C,0,0.91 39539716,0.5042388114,0.8815423433\F,0,0.0035320907,0.6962118266,0.005 0951043\F,0,0.5365158579,0.067382575,2.021955485\H,0,1.2089695626,1.76 85414392,1.1976167573\\Version=EM64L-G09RevA.02\State=2-A\MP2/GTBas1=- 336.9129115\MP4/GTBas1=-336.941509\CCSD(T)/G3Bas1=-336.935136\MP2/GTBa s2=-336.9273743\MP4/GTBas2=-336.9579603\MP2/GTBas3=-337.1230189\MP4/GT Bas3=-337.1648096\HF/GTLargeXP=-336.4106935\MP2/GTLargeXP=-337.4984972 \HF/GFHFB1=-336.4449718\HF/GFHFB2=-336.452261\G4=-337.6486536\FreqCoor d=3.8762601336,0.198091199,0.8626416683,1.7271227043,0.9528732592,1.66 58736035,0.0066746841,1.3156496828,0.0096283517,1.0138680373,0.1273346 13,3.8209421196,2.2846213763,3.3420589747,2.2631676835\PG=C01 [X(C1H1F 3)]\NImag=0\\0.42289991,-0.14167612,0.09598826,-0.13391558,0.04161472, 0.13100619,-0.31847010,0.12708628,0.10328695,0.64000707,0.06401129,-0. 09917061,-0.02367603,-0.09211139,0.26725760,0.08345389,-0.04031747,-0. 11223738,-0.02313614,-0.09839131,0.63690648,-0.06313461,0.01205555,-0. 03018563,-0.23601646,0.05530266,-0.15204465,0.30733808,0.03647720,0.01 247675,0.00958841,0.00627884,-0.06866996,0.00640220,-0.04673995,0.0507 8595,-0.00683932,-0.00252627,0.01482534,-0.15327482,0.05389636,-0.2245 5649,0.21630145,-0.04606820,0.29081989,-0.02538126,-0.01243583,0.05120 673,-0.10479281,-0.02392945,0.09253168,0.01322711,0.01166010,-0.032622 07,0.12058397,0.01190409,0.01772928,-0.01050094,-0.03802123,-0.1054733 0,0.13580463,-0.00180636,0.01155454,0.01310724,0.04040833,0.10502504,0 .04325588,0.01446795,-0.02852294,0.07392399,0.07167586,-0.31929729,-0. 01024239,0.03770512,-0.06059171,-0.11957961,-0.15372795,0.42398651,-0. 01591394,0.01497012,0.00960754,0.01927230,-0.00327311,-0.00080478,-0.0 2141412,-0.00767619,-0.02356524,-0.00363701,-0.01248483,0.01264214,0.0 2169278,0.02928353,-0.02702369,-0.01702616,-0.00323249,0.00605627,-0.0 0349805,-0.01881190,-0.00614728,-0.01840912,-0.01570315,-0.02883555,0. 02987902,0.00846401,0.05595024,0.01404512,-0.01323894,-0.00507120,-0.0 0079997,-0.00350488,0.01918468,-0.02382878,-0.00762753,-0.02049703,0.0 0846328,0.01531703,-0.01557456,0.00212034,0.00905432,0.02195811\\-0.00 030090,0.00008906,0.00012162,-0.00000020,-0.00023187,-0.00005839,0.000 19659,-0.00000149,0.00017957,0.00010237,0.00007256,-0.00026479,0.00000 214,0.00007174,0.00002199\\\@ hydrogen cyanide \\1,2\C,0,0.2603231544,0.,0.\H,0,-0.8343707126,0.,0.\N, 0,1.4740475582,0.,0.\\Version=EM64L-G09RevA.02\MP2/GTBas1=-92.659421\M P4/GTBas1=-92.6912779\CCSD(T)/G3Bas1=-92.6959987\MP2/GTBas2=-92.661221 9\MP4/GTBas2=-92.6933132\MP2/GTBas3=-92.7061725\MP4/GTBas3=-92.7406804 \HF/GTLargeXP=-92.4665521\MP2/GTLargeXP=-92.8274599\HF/GFHFB1=-92.4739 263\HF/GFHFB2=-92.4752428\G4=-92.8925458\FreqCoord=0.4919394678,0.,0., -1.5767321401,0.,0.,2.7855461919,0.,0.\PG=C*V [C*(H1C1N1)]\NImag=0\\1. 33742446,0.,0.05985680,0.,0.,0.02614376,-0.36385857,0.,0.,0.34923917,0 .,-0.03148368,0.,0.,0.01655787,0.,0.,-0.01376246,0.,0.,0.00724526,-0.9 7356589,0.,0.,0.01461940,0.,0.,0.95894650,0.,-0.02837312,0.,0.,0.01492 581,0.,0.,0.01344731,0.,0.,-0.01238130,0.,0.,0.00651720,0.,0.,0.005864 10\\0.00010888,0.,0.,-0.00006380,0.,0.,-0.00004508,0.,0.\\\@ dichloromethane \\1,2\Cl,0,0.7518894542,0.0508264466,2.2843272055\C,0, 0.5834235403,1.099841226,0.8415724389\Cl,0,2.3255638146,1.5226286912,0 .8654282976\H,0,0.3310575797,0.5184175979,-0.0421605731\H,0,-0.0356248 184,1.9681856362,1.0548430189\\Version=EM64L-G09RevA.02\State=2-A\MP2/ GTBas1=-957.9742847\MP4/GTBas1=-958.0238655\CCSD(T)/G3Bas1=-958.024911 7\MP2/GTBas2=-957.9787894\MP4/GTBas2=-958.0288172\MP2/GTBas3=-958.1111 178\MP4/GTBas3=-958.1786535\HF/GTLargeXP=-957.6802204\MP2/GTLargeXP=-9 58.8851118\HF/GFHFB1=-957.7025228\HF/GFHFB2=-957.7056662\G4=-959.01847 52\FreqCoord=1.4208651507,0.0960480644,4.3167528162,1.1025107106,2.078 3987069,1.5903414304,4.3946787142,2.8773512285,1.63542247,0.6256081598 ,0.9796672826,-0.0796719367,-0.0673211504,3.719331831,1.9933644189\PG= C01 [X(C1H2Cl2)]\NImag=0\\0.03106840,-0.00315671,0.08323227,0.00759387 ,-0.08351616,0.13375119,-0.02458063,0.03122248,-0.03899303,0.34111509, 0.00877830,-0.05815584,0.03832091,-0.11771979,0.46260348,-0.00932797,0 .04582689,-0.09506631,0.06273712,0.16719555,0.41891805,-0.01279486,-0. 02468015,0.02872687,-0.12634240,0.00027626,-0.03212337,0.18330144,-0.0 1719553,-0.01745876,0.01579680,-0.02216497,-0.02653590,-0.01379445,0.0 4310812,0.03614989,0.01883324,0.01329171,-0.01242542,-0.00246618,-0.00 628909,-0.02387902,-0.00265836,-0.00579493,0.02762775,0.00220861,0.000 44543,0.00155435,-0.05553509,-0.02917345,-0.05334720,-0.01994073,-0.01 503448,-0.01718311,0.06411071,0.00574535,0.00266904,0.02513286,-0.0316 0159,-0.13747320,-0.14164065,-0.00338911,-0.00099916,-0.00286266,0.035 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1938818544\H,0,1.0462722987,1.7232548312,1.4879522221\H,0,0.2033011444 ,1.5946266252,0.0742156229\\Version=EM64L-G09RevA.02\State=2-A\MP2/GTB as1=-237.9080048\MP4/GTBas1=-237.9356358\CCSD(T)/G3Bas1=-237.9315007\M P2/GTBas2=-237.9202115\MP4/GTBas2=-237.9491721\MP2/GTBas3=-238.0631644 \MP4/GTBas3=-238.1005562\HF/GTLargeXP=-237.5360209\MP2/GTLargeXP=-238. 3359973\HF/GFHFB1=-237.5602443\HF/GFHFB2=-237.5653241\G4=-238.4414829\ FreqCoord=-0.0337240976,0.0032103948,2.4847426575,1.4636328339,1.59103 04801,1.4482494239,3.418630089,0.6723127029,0.3663836069,1.9771681049, 3.2564796882,2.8118221986,0.3841834854,3.0134076058,0.1402472021\PG=C0 1 [X(C1H2F2)]\NImag=0\\0.24208503,0.19312072,0.28066962,-0.14658272,-0 .13826167,0.12548668,-0.17815981,-0.15239586,0.11088447,0.51563046,-0. 13794743,-0.25879981,0.10432469,-0.00774140,0.57898049,0.10953055,0.11 288082,-0.09091253,-0.22698660,-0.03556286,0.27228964,-0.05338525,-0.0 0380846,0.03496739,-0.28266055,0.12299142,0.14818229,0.37246643,-0.027 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0149593,-0.01670008,-0.00669599,-0.02659218,0.04003663,-0.06491113,0.0 8388345\\-0.00019024,-0.00018473,0.00011761,0.00014156,-0.00014910,-0. 00001486,0.00019613,-0.00011335,-0.00009690,0.00004790,0.00022056,0.00 016999,-0.00019535,0.00022662,-0.00017584\\\@ formaldehyde \\1,2\O,0,-0.0161505723,1.1914451098,0.\C,0,0.000717311 2,-0.0002939965,0.\H,0,-0.9606135037,-0.576108406,0.\H,0,0.9777067648, -0.5490027073,0.\\Version=EM64L-G09RevA.02\State=2-A'\MP2/GTBas1=-113. 7685313\MP4/GTBas1=-113.8011233\CCSD(T)/G3Bas1=-113.8074905\MP2/GTBas2 =-113.7711944\MP4/GTBas2=-113.8041623\MP2/GTBas3=-113.8429365\MP4/GTBa s3=-113.879987\HF/GTLargeXP=-113.564199\MP2/GTLargeXP=-113.9823227\HF/ GFHFB1=-113.5741387\HF/GFHFB2=-113.5761498\G4=-114.0530095\FreqCoord=- 0.0305201585,2.2515049599,0.,0.0013555217,-0.0005555729,0.,-1.81529644 16,-1.0886871102,0.,1.8475980238,-1.0374647631,0.\PG=CS [SG(C1H2O1)]\N Imag=0\\0.03468395,-0.01104560,0.81524591,0.,0.,0.01382838,-0.02977976 ,0.00983380,0.,0.43315119,0.00979935,-0.72163926,0.,-0.00595429,0.8441 9293,0.,0.,-0.04336416,0.,0.,0.13563431,-0.00187481,-0.01795806,0.,-0. 19917756,-0.07968022,0.,0.21699543,-0.02206888,-0.04739012,0.,-0.10063 782,-0.06372873,0.,0.11046552,0.10626720,0.,0.,0.01476946,0.,0.,-0.046 13899,0.,0.,0.01567457,-0.00302938,0.01916986,0.,-0.20419387,0.0758351 6,0.,-0.01594306,0.01224117,0.,0.22316632,0.02331513,-0.04621653,0.,0. 09675830,-0.05882494,0.,-0.01282725,0.00485165,0.,-0.10724618,0.100189 83,0.,0.,0.01476632,0.,0.,-0.04613116,0.,0.,0.01569496,0.,0.,0.0156698 8\\-0.00001066,-0.00016107,0.,0.00003252,0.00030650,0.,0.00002698,-0.0 0007117,0.,-0.00004884,-0.00007427,0.\\\@ formic acid \\1,2\O,0,1.9210168209,0.9197630852,1.8414985504\C,0,0. 9915185261,0.37976716,1.1617787349\O,0,1.0959714001,-0.0383603963,-0.0 151196252\H,0,2.786650294,1.0081820079,1.3851893017\H,0,-0.0010671187, 0.2562483987,1.6319529407\\Version=EM64L-G09RevA.02\State=2-A\MP2/GTBa s1=-188.8324861\MP4/GTBas1=-188.86953\CCSD(T)/G3Bas1=-188.8705048\MP2/ GTBas2=-188.837791\MP4/GTBas2=-188.8756691\MP2/GTBas3=-188.9598468\MP4 /GTBas3=-189.0042443\HF/GTLargeXP=-188.4866357\MP2/GTLargeXP=-189.1828 037\HF/GFHFB1=-188.5033717\HF/GFHFB2=-188.506851\G4=-189.2778727\FreqC oord=3.6301956882,1.7381003382,3.4799279344,1.87369847,0.7176559266,2. 195443636,2.0710857956,-0.0724906434,-0.0285719509,5.2660058838,1.9051 87887,2.6176284225,-0.002016562,0.4842392956,3.0839441198\PG=C01 [X(C1 H2O2)]\NImag=0\\0.70050333,0.19772306,0.15177197,-0.00052364,0.1175562 3,0.35627800,-0.32811030,-0.13772148,-0.14928028,0.61405052,-0.1279622 9,-0.13105438,-0.08197991,0.14047859,0.28502979,-0.12370534,-0.0741854 3,-0.15764793,0.01635959,0.18581110,0.64553415,-0.00066520,-0.01687623 ,-0.02265998,-0.02801607,0.02049424,0.03045205,0.03837278,-0.02872486, 0.00097916,-0.04425156,0.02985456,-0.09524566,-0.12322192,-0.00568802, 0.08477291,-0.05368680,-0.05364711,-0.07148791,0.05499603,-0.11579805, -0.40371866,-0.02902320,0.17258292,0.49548635,-0.34814919,-0.03824442, 0.15958518,-0.02616723,-0.00739029,0.00425800,-0.00127766,0.00353288,0 .00546652,0.37643634,-0.02108127,-0.02594899,0.00425268,-0.02186507,-0 .00205566,0.00272509,0.00080148,-0.00408481,0.00448305,0.04525716,0.02 638372,0.20472913,0.01792827,-0.13699233,-0.03389552,-0.00881173,0.007 35295,-0.00168242,0.00230615,0.00135217,-0.16801001,-0.00805331,0.1282 7302,-0.02357865,-0.00488094,0.01287872,-0.23175693,-0.02562024,0.0726 3570,-0.00841386,0.00102543,0.02224746,-0.00084227,-0.00311229,-0.0011 4118,0.26459170,-0.01995464,0.00425224,0.00442255,-0.01074660,-0.05667 409,0.00887116,0.00126853,0.01357840,-0.00762082,-0.00315532,0.0057057 5,-0.00336938,0.03258804,0.03313771,-0.02681334,-0.00765196,0.00985016 ,0.11182018,0.02077859,-0.09152050,0.02291355,-0.00741559,-0.02163195, -0.00129969,-0.00340751,0.00001418,-0.10662070,-0.00230352,0.10328810\ \-0.00001112,-0.00008873,0.00011637,-0.00006234,0.00033291,-0.00017852 ,0.00002814,-0.00010278,0.00006257,0.00000793,-0.00002188,-0.00004563, 0.00003739,-0.00011952,0.00004522\\\@ chloromethane \\1,2\H,0,-0.0036163993,1.2346280829,1.6427639264\C,0, 0.6363179646,0.9435866251,0.8046395696\H,0,0.5559471434,1.7425820233,0 .0186442252\H,0,0.4584972199,-0.0231088227,0.3257524996\Cl,0,2.3166442 296,1.0597016419,1.2857993301\\Version=EM64L-G09RevA.02\State=2-A\MP2/ GTBas1=-498.9487669\MP4/GTBas1=-498.9864604\CCSD(T)/G3Bas1=-498.989478 3\MP2/GTBas2=-498.9507323\MP4/GTBas2=-498.988678\MP2/GTBas3=-499.03463 24\MP4/GTBas3=-499.0834292\HF/GTLargeXP=-498.7635753\MP2/GTLargeXP=-49 9.4511427\HF/GFHFB1=-498.7764422\HF/GFHFB2=-498.7784996\G4=-499.531451 9\FreqCoord=-0.0068340044,2.3331089527,3.1043739218,1.2024666866,1.783 120304,1.5205484223,1.0505878454,3.2930027882,0.0352324795,0.866434178 3,-0.0436693462,0.6155830114,4.3778231413,2.0025458858,2.4298085957\PG =C01 [X(C1H3Cl1)]\NImag=0\\0.14397160,-0.03709470,0.04711672,-0.129292 23,0.05840172,0.22077796,-0.12079861,0.01579584,0.12609787,0.29044277, 0.02274239,-0.03302102,-0.05392378,0.04940895,0.40925294,0.11613007,-0 .03202528,-0.19346968,-0.07693262,0.00298220,0.35175658,0.00155778,-0. 00346033,0.01564896,-0.01422343,0.00612077,-0.02573298,0.03272640,0.00 634865,-0.00873501,-0.00844709,-0.01164631,-0.10810008,0.13405914,-0.0 1064286,0.14530815,0.00239907,0.00368230,-0.02170012,-0.00905774,0.140 49368,-0.09571752,0.01840744,-0.13169125,0.14094413,0.00661566,0.01709 740,0.00410418,-0.04508355,-0.04332284,-0.01136305,0.00324767,0.005822 59,0.00241397,0.05629328,0.00191730,-0.00500931,0.00055063,-0.04496351 ,-0.25282400,-0.10257442,-0.00228408,-0.02304776,-0.01305999,0.0404958 6,0.27816976,-0.00033215,-0.02974652,-0.00990425,-0.01388473,-0.078239 31,-0.05133975,0.00630780,0.00559189,-0.00888694,0.02122570,0.11182677 ,0.07895542,-0.03134643,0.00766179,-0.01655877,-0.11033718,-0.03494928 ,-0.00210142,-0.02330842,0.01011792,-0.01416274,-0.02107307,0.00483443 ,-0.01331661,0.18606510,0.00608636,-0.00035139,0.00341852,-0.00859498, -0.01530785,-0.00244164,0.01026650,-0.00542531,0.00057526,-0.02009301, 0.00271131,-0.00943284,0.01233514,0.01837324,0.01109526,-0.00031223,0. 00429609,-0.02622278,-0.01131278,-0.01122962,-0.01463122,0.00048730,-0 .01463955,-0.01638079,0.00325701,-0.00882447,0.04613954,0.00788070,0.0 3039755\\0.00008858,0.00000026,-0.00007487,-0.00039476,-0.00025609,0.0 0006771,0.00006881,0.00012056,-0.00006803,0.00003894,0.00008656,0.0000 3783,0.00019844,0.00004871,0.00003736\\\@ methanethiol \\1,2\C,0,0.7927851206,0.9664346145,0.8775103167\H,0,-0 .0296538021,0.2756706628,0.6901641419\H,0,0.993798394,1.6080379371,0.0 071056561\H,0,0.5941392145,1.6124864504,1.7451644074\S,0,2.2545439016, -0.0062553963,1.2161292013\H,0,3.1326973312,1.0143157297,1.4154255821\ \Version=EM64L-G09RevA.02\State=2-A\MP2/GTBas1=-437.6219538\MP4/GTBas1 =-437.6621915\CCSD(T)/G3Bas1=-437.6650347\MP2/GTBas2=-437.6239485\MP4/ GTBas2=-437.6644346\MP2/GTBas3=-437.7115303\MP4/GTBas3=-437.7604544\HF /GTLargeXP=-437.4490755\MP2/GTLargeXP=-438.1152682\HF/GFHFB1=-437.4594 612\HF/GFHFB2=-437.462099\G4=-438.1822883\FreqCoord=1.4981467601,1.826 2967467,1.6582541774,-0.0560375649,0.5209420556,1.304221215,1.87800679 6,3.0387513124,0.0134277439,1.1227604002,3.0471577843,3.2978827868,4.2 604705286,-0.0118209858,2.2981511326,5.9199400131,1.9167789414,2.67476 67116\PG=C01 [X(C1H4S1)]\NImag=0\\0.40770342,0.12878123,0.47417177,-0. 01378461,0.02959025,0.46297213,-0.20395309,-0.14066315,-0.03636189,0.2 2064666,-0.14180333,-0.16483651,-0.03229785,0.14425821,0.17337782,-0.0 3635899,-0.03203567,-0.05253251,0.04047206,0.03283754,0.05225452,-0.04 705407,-0.03277177,0.02980646,-0.00072093,-0.01160046,0.01858000,0.051 78516,-0.04063741,-0.12189232,0.12660004,-0.00110056,-0.00891444,0.013 55429,0.03120409,0.13654496,0.04008660,0.12283918,-0.19910440,-0.00044 300,-0.00554474,0.00515687,-0.04155295,-0.13390947,0.21875361,-0.04855 257,0.02430265,0.04300752,0.00751795,-0.01296040,-0.01738050,0.0018749 2,0.00207558,0.00424669,0.05091847,0.01881968,-0.12318847,-0.13204402, 0.00491966,-0.00896744,-0.01262567,-0.00477644,0.00818485,0.01452523,- 0.03051793,0.13791855,0.03276110,-0.12521334,-0.19630742,0.00156990,-0 .00005247,-0.00302925,0.00643468,-0.01529738,-0.02010671,-0.03961050,0 .13453042,0.21824497,-0.09059542,0.03863542,-0.02123155,-0.02088557,0. 01681135,-0.00381701,-0.00788790,0.00854265,-0.00144616,-0.01322918,0. 01188371,-0.00157285,0.23464560,0.02256243,-0.07762591,0.00539143,-0.0 1072756,0.01239286,-0.00251008,0.01826547,-0.01508115,0.00217801,0.017 42666,-0.01510840,0.00608515,0.04581590,0.26412952,-0.02118983,0.00908 649,-0.00359109,-0.00374645,0.00382242,-0.00534393,-0.01258942,0.00963 531,-0.00714899,0.00953109,-0.00488182,-0.00178070,0.05122682,0.009884 57,0.02310272,-0.01754827,-0.01828440,-0.00143594,-0.00260501,0.005294 63,-0.00149556,0.00200282,-0.00008435,-0.00089117,0.00147041,-0.000328 67,0.00041767,-0.10204754,-0.09334290,-0.02323221,0.11872759,0.0122774 0,0.01337144,0.00276014,0.00331340,-0.00305230,0.00077959,-0.00032090, 0.00115810,-0.00008821,-0.00032656,0.00116091,-0.00005237,-0.12168903, -0.16870692,-0.02754697,0.10674569,0.15606877,-0.00151427,-0.00426691, -0.01143672,-0.00149062,0.00123511,0.00349430,-0.00067877,-0.00058279, 0.00244961,0.00020571,0.00049586,0.00297910,-0.02315926,-0.02102910,-0 .00523801,0.02663721,0.02414782,0.00775171\\-0.00002160,0.00010581,-0. 00000540,0.00001282,-0.00001782,0.00000302,0.00000695,-0.00001915,-0.0 0000322,0.00000480,-0.00001915,0.00000611,-0.00002038,-0.00005653,-0.0 0000448,0.00001741,0.00000684,0.00000396\\\@ methylamine \\1,2\C,0,0.5832743145,1.0868525072,0.8553313048\N,0,1. 9341222654,1.4857559334,0.989365577\H,0,0.1270035142,1.5480677099,-0.0 25079263\H,0,0.5741894274,-0.0166089738,0.6797830212\H,0,0.032285558,1 .2610424006,1.7838259741\H,0,2.4075371402,1.4754345003,1.8948226698\H, 0,2.4973977551,1.7479558464,0.1781611951\\Version=EM64L-G09RevA.02\Sta te=2-A\MP2/GTBas1=-95.1911014\MP4/GTBas1=-95.2279991\CCSD(T)/G3Bas1=-9 5.2314972\MP2/GTBas2=-95.1928997\MP4/GTBas2=-95.2301873\MP2/GTBas3=-95 .2749533\MP4/GTBas3=-95.3172674\HF/GTLargeXP=-94.9697889\MP2/GTLargeXP =-95.4047333\HF/GFHFB1=-94.9778817\HF/GFHFB2=-94.9796776\G4=-95.446142 1\FreqCoord=1.1022287147,2.0538535855,1.6163419189,3.6549613892,2.8076 718143,1.8696299858,0.2400018598,2.9254240068,-0.0473929387,1.08506076 62,-0.0313864119,1.2846037398,0.0610108627,2.3830247791,3.3709425598,4 .5495858497,2.7881671326,3.5806959163,4.7193978021,3.3031578421,0.3366 758663\PG=C01 [X(C1H5N1)]\NImag=0\\0.47876632,-0.05073929,0.41622352,- 0.01478378,-0.03303790,0.60159946,-0.23924920,-0.02853444,-0.01115590, 0.62289309,-0.05439342,-0.06020868,0.00549803,0.15111821,0.15497646,-0 .01525507,0.00685324,-0.11249629,0.01566727,-0.09160908,0.76814142,-0. 09225840,0.04702548,-0.07593919,-0.02284833,0.01149563,-0.03240195,0.1 0618526,0.05774839,-0.08671029,0.10226934,-0.01369142,0.00237986,-0.01 496376,-0.04805029,0.09748252,-0.08006155,0.09817200,-0.22668393,-0.00 610892,-0.00241313,-0.00091352,0.09747790,-0.10419194,0.23756504,-0.02 696488,0.00264976,0.00016601,-0.01663947,-0.03501400,-0.00624260,0.001 79221,0.01161125,0.00039938,0.04338304,0.01890320,-0.24309798,-0.03406 275,-0.01993288,-0.01389958,-0.00269369,0.00007639,-0.01512002,-0.0025 6421,0.00459508,0.28248754,0.00274324,-0.03491487,-0.02755107,-0.00384 885,-0.00348287,-0.00425553,-0.00061881,0.02313372,0.00026822,0.001346 02,0.04004376,0.03803543,-0.11147077,0.02599915,0.10251658,-0.02645356 ,0.00107228,0.03142277,0.00973758,-0.00449812,-0.01050802,0.00152780,- 0.00026721,0.00109626,0.12918753,0.03528514,-0.04202987,-0.04005882,-0 .01590780,-0.00281747,0.01215871,-0.00873333,0.00199211,0.01020050,0.0 1357363,-0.00779002,-0.02444329,-0.02100078,0.05015676,0.10981027,-0.0 3700970,-0.25213436,-0.00155790,0.00181675,0.00788686,0.01079709,-0.00 611430,-0.01273599,0.00410393,-0.00007422,-0.00679996,-0.12283682,0.04 300062,0.26187675,-0.00356918,0.00498285,-0.02199464,-0.14308931,-0.01 130067,-0.14624914,-0.00405597,-0.00355289,-0.00133203,-0.00147304,-0. 00137929,-0.00188968,0.00138749,0.00052976,-0.00004228,0.13617830,-0.0 0329062,0.01014416,-0.01907339,-0.01079699,-0.02879417,0.01293823,-0.0 0133388,0.00023770,0.00423554,0.00109993,-0.00163495,0.00325906,-0.001 00294,-0.00099769,0.00252309,0.01135274,0.01362559,0.00442693,0.005145 00,0.00555414,-0.14653169,0.00965572,-0.35636444,0.00147484,-0.0004620 5,0.00095856,0.00018011,-0.00161488,0.00042193,0.00049211,-0.00111695, 0.00233894,0.15402023,-0.01107852,0.35950249,-0.00525388,-0.00138351,0 .02119092,-0.17461322,-0.06297802,0.15305873,0.00144765,0.00043309,0.0 0013324,-0.00162565,-0.00199528,0.00117182,-0.00391607,-0.00374664,-0. 00027429,0.01462170,0.00397176,-0.01406255,0.16933948,-0.00351339,0.00 567913,0.01846548,-0.06225469,-0.05163642,0.07731636,-0.00047999,-0.00 026189,-0.00343875,0.00148436,-0.00094499,-0.00359550,-0.00030238,0.00 148617,-0.00414224,-0.00063251,0.00741936,-0.00052833,0.06569860,0.038 25864,-0.00688003,-0.00520777,0.01171205,0.15353598,0.08053458,-0.3019 9851,-0.00078989,0.00032899,0.00154162,0.00004714,0.00096600,-0.000119 02,-0.00218288,0.00025924,-0.00043225,0.01748755,0.00719598,-0.0124116 2,-0.16121787,-0.08407702,0.30170773\\-0.00012979,-0.00029941,-0.00005 436,0.00058122,0.00036091,0.00008775,0.00003752,0.00004319,0.00001247, -0.00000420,0.00010712,0.00001680,0.00003788,0.00004430,0.00000539,-0. 00026307,-0.00013335,-0.00000075,-0.00025954,-0.00012276,-0.00006730\\ \@ carbon monoxide \\1,2\C,0,0.1217529723,0.0281912127,0.\O,0,-0.7779029723, -0.6303512127,0.\\Version=EM64L-G09RevA.02\State=2-SG\MP2/GTBas1=-112. 5089084\MP4/GTBas1=-112.5290876\CCSD(T)/G3Bas1=-112.5376305\MP2/GTBas2 =-112.5111646\MP4/GTBas2=-112.5316677\MP2/GTBas3=-112.5674856\MP4/GTBa s3=-112.5907648\HF/GTLargeXP=-112.3012354\MP2/GTLargeXP=-112.703028\HF /GFHFB1=-112.310989\HF/GFHFB2=-112.3127777\G4=-112.7729913\FreqCoord=0 .2300797735,0.0532736713,0.,-1.4700235756,-1.1911911595,0.\PG=C*V [C*( C1O1)]\NImag=0\\0.87662949,0.64171732,0.46969186,0.,0.,-0.00004114,-0. 87662949,-0.64171732,0.,0.87662949,-0.64171732,-0.46969186,0.,0.641717 32,0.46969186,0.,0.,0.00004114,0.,0.,-0.00004114\\-0.00004738,-0.00003 468,0.,0.00004738,0.00003468,0.\\\@ carbon dioxide \\1,2\C,0,0.3120506339,0.2991966468,0.\O,0,1.3846450791,0 .7782740473,0.\O,0,-0.7605453744,-0.1798814519,0.\\Version=EM64L-G09Re vA.02\MP2/GTBas1=-187.5810688\MP4/GTBas1=-187.6219819\CCSD(T)/G3Bas1=- 187.6308345\MP2/GTBas2=-187.5852893\MP4/GTBas2=-187.6268465\MP2/GTBas3 =-187.6922131\MP4/GTBas3=-187.7393439\HF/GTLargeXP=-187.2491008\MP2/GT LargeXP=-187.9092908\HF/GFHFB1=-187.264986\HF/GFHFB2=-187.2680484\G4=- 188.0291466\FreqCoord=0.5896902376,0.5653997222,0.,2.6165999907,1.4707 248057,0.,-1.4372224693,-0.3399266806,0.\PG=C*V [C*(O1C1O1)]\NImag=0\\ 0.63832349,0.23453853,0.21797833,-0.00524745,0.01174839,0.09016044,-0. 31916630,-0.11727140,0.00262373,0.59614201,-0.11727140,-0.10898989,-0. 00587420,0.25362013,0.14159840,0.00262373,-0.00587420,-0.04507999,-0.0 0131261,0.00293877,0.02254981,-0.31915719,-0.11726713,0.00262372,-0.27 697571,-0.13634872,-0.00131112,0.59613290,-0.11726713,-0.10898844,-0.0 0587419,-0.13634872,-0.03260850,0.00293543,0.25361585,0.14159694,0.002 62372,-0.00587419,-0.04508046,-0.00131112,0.00293543,0.02253018,-0.001 31261,0.00293876,0.02255028\\0.00000110,0.00000049,0.,-0.00000268,-0.0 0000120,0.,0.00000158,0.00000071,0.\\\@ carbon disulfide \\1,2\S,0,1.5556674717,0.,0.\C,0,0.,0.,0.\S,0,-1.55566747 17,0.,0.\\Version=EM64L-G09RevA.02\MP2/GTBas1=-832.8893127\MP4/GTBas1= -832.9414006\CCSD(T)/G3Bas1=-832.9495502\MP2/GTBas2=-832.8924432\MP4/G TBas2=-832.9448656\MP2/GTBas3=-832.9846529\MP4/GTBas3=-833.0484181\HF/ GTLargeXP=-832.6427902\MP2/GTLargeXP=-833.7250066\HF/GFHFB1=-832.65794 42\HF/GFHFB2=-832.6620203\G4=-833.8638942\FreqCoord=2.9397854754,0.,0. ,0.,0.,0.,-2.9397854754,0.,0.\PG=D*H [O(C1),C*(S1.S1)]\NImag=0\\0.4186 9607,0.,0.01444162,0.,0.,0.01031802,-0.30119933,0.,0.,0.60239865,0.,-0 .02887356,0.,0.,0.05774713,0.,0.,-0.02063537,0.,0.,0.04127074,-0.11749 675,0.,0.,-0.30119933,0.,0.,0.41869607,0.,0.01443195,0.,0.,-0.02887356 ,0.,0.,0.01444162,0.,0.,0.01031734,0.,0.,-0.02063537,0.,0.,0.01031802\ \-0.00000429,0.,0.,0.,0.,0.,0.00000429,0.,0.\\\@ chlorotrifluoroethene \\1,2\C,0,-0.7400004347,0.0488107448,0.\C,0,0.67656606 59,0.0440983656,0.\Cl,0,1.5611102039,-1.3500948228,0.\F,0,1.2597381687 ,1.1836907175,0.\F,0,-1.3869390038,1.1346722672,0.\F,0,-1.411585,-1.02 16472723,0.\\Version=EM64L-G09RevA.02\State=2-A"\MP2/GTBas1=-834.00884 82\MP4/GTBas1=-834.0659123\CCSD(T)/G3Bas1=-834.0573358\MP2/GTBas2=-834 .0301538\MP4/GTBas2=-834.0894421\MP2/GTBas3=-834.2859268\MP4/GTBas3=-8 34.3643652\HF/GTLargeXP=-833.3169228\MP2/GTLargeXP=-835.0756903\HF/GFH FB1=-833.362531\HF/GFHFB2=-833.3714725\G4=-835.3075545\FreqCoord=-1.39 83981598,0.09223894,0.,1.2785245753,0.083333834,0.,2.9500707486,-2.551 3094685,0.,2.3805601381,2.2368512821,0.,-2.6209348801,2.1442198356,0., -2.6675090633,-1.9306335491,0.\PG=CS [SG(C2Cl1F3)]\NImag=0\\0.82538516 ,0.00974505,0.81470427,0.,0.,0.12460448,-0.34947295,0.01157624,0.,0.67 471896,-0.00172183,-0.05396523,0.,0.05178862,0.63558268,0.,0.,-0.05204 137,0.,0.,0.09753652,-0.00552070,0.03105192,0.,-0.12660317,0.10053029, 0.,0.12778401,0.00026350,-0.01369284,0.,0.11676102,-0.18137599,0.,-0.1 3290000,0.24828720,0.,0.,0.00436742,0.,0.,-0.02552694,0.,0.,0.00984384 ,-0.01901887,-0.04881281,0.,-0.16895633,-0.15588063,0.,0.01718588,0.00 875637,0.,0.18216697,-0.00611766,-0.02550657,0.,-0.18109619,-0.3643318 3,0.,0.00103896,-0.05788659,0.,0.19704433,0.43895551,0.,0.,0.00485027, 0.,0.,-0.03479000,0.,0.,0.00789530,0.,0.,0.01711618,-0.22192771,0.1908 5988,0.,-0.01608612,0.04697783,0.,-0.00762307,0.00363744,0.,-0.0007107 1,-0.00514439,0.,0.21900573,0.20056660,-0.36420464,0.,0.00396347,-0.02 552259,0.,0.00302436,-0.00419736,0.,0.00376199,0.01695377,0.,-0.222780 70,0.45390613,0.,0.,-0.04055115,0.,0.,0.00957419,0.,0.,0.00381652,0.,0 .,-0.00172372,0.,0.,0.01780212,-0.22944493,-0.19442028,0.,-0.01360039, -0.04169428,0.,-0.00522294,0.00348166,0.,-0.01066693,-0.00572505,0.,0. 02734188,0.01146428,0.,0.23159331,-0.20273567,-0.35733500,0.,-0.002993 16,-0.01038704,0.,-0.00274552,0.00886559,0.,-0.00486925,-0.00818429,0. ,-0.01355006,-0.07693530,0.,0.22689367,0.44397604,0.,0.,-0.04122965,0. ,0.,0.00524760,0.,0.,-0.00039614,0.,0.,0.00665196,0.,0.,0.01108204,0., 0.,0.01864420\\0.00002369,-0.00004707,0.,-0.00005278,0.00014313,0.,0.0 0001296,-0.00007342,0.,-0.00000496,-0.00007500,0.,-0.00000299,0.000017 70,0.,0.00002408,0.00003466,0.\\\@ tetrachloroethene \\1,2\C,0,2.4313221653,2.2563447742,1.0392678659\C,0,1.2 796397083,1.4173014305,0.9472141271\Cl,0,-0.0218114329,1.8496239832,-0 .0139083346\Cl,0,1.1976259317,-0.022951973,1.7977307473\Cl,0,3.7327862 898,1.8240069923,2.0003659018\Cl,0,2.5133488888,3.6965829837,0.1887267 787\\Version=EM64L-G09RevA.02\State=2-A\MP2/GTBas1=-1914.0567384\MP4/G TBas1=-1914.1418605\CCSD(T)/G3Bas1=-1914.1379033\MP2/GTBas2=-1914.0660 166\MP4/GTBas2=-1914.1519296\MP2/GTBas3=-1914.3028613\MP4/GTBas3=-1914 .4213113\HF/GTLargeXP=-1913.4487888\MP2/GTLargeXP=-1915.8480443\HF/GFH FB1=-1913.4912757\HF/GFHFB2=-1913.4978618\G4=-1916.1222998\FreqCoord=4 .5945330332,4.2638736846,1.9639316452,2.4181685974,2.6783115514,1.7899 752893,-0.0412176348,3.4952827771,-0.0262829433,2.2631850205,-0.043372 9432,3.397218773,7.0539438003,3.4468736798,3.78014372,4.7495410762,6.9 855294667,0.3566419257\PG=C01 [X(C2Cl4)]\NImag=0\\0.43273021,0.1106663 0,0.38352660,0.11109113,-0.12028555,0.22872271,-0.21297274,-0.11345213 ,-0.01380865,0.43272788,-0.11345311,-0.14020443,-0.00729058,0.11066682 ,0.38352861,-0.01380966,-0.00729123,-0.05751052,0.11109324,-0.12028383 ,0.22872308,-0.02694379,0.00650781,-0.02208509,-0.15614776,0.02546848, -0.08451405,0.19262079,-0.00811147,0.00448828,-0.00278396,0.03800861,- 0.04424061,0.03088967,-0.04011199,0.05785458,-0.01300804,0.00499726,-0 .00306872,-0.09230017,0.02421525,-0.09123338,0.12203851,-0.05098296,0. 10673422,0.00021829,-0.01907233,0.00825394,-0.03688142,-0.01011834,0.0 0106061,-0.00135245,0.01977930,-0.01708513,0.04529516,-0.00445248,-0.0 2590006,0.01802941,-0.02265888,-0.17767218,0.08143922,0.01493464,-0.01 643276,0.02291658,0.01933787,0.22267801,-0.00082250,0.01024858,0.00015 752,0.00884630,0.08811335,-0.07706805,-0.01407741,0.02549529,-0.015645 92,0.00671341,-0.12166962,0.08923635,-0.15615012,0.02546991,-0.0845129 8,-0.02694431,0.00650852,-0.02208440,-0.00217741,-0.00172168,-0.001380 25,-0.00599931,-0.00507744,0.00001813,0.19262359,0.03801041,-0.0442411 3,0.03089025,-0.00811130,0.00448795,-0.00278394,-0.00172163,-0.0001845 6,0.00070323,-0.00784285,-0.00148478,-0.00332119,-0.04011393,0.0578552 9,-0.09229832,0.02421561,-0.09123046,-0.01300819,0.00499725,-0.0030678 8,-0.00138014,0.00070318,0.00125283,0.00173509,-0.00184928,0.00196074, 0.12203680,-0.05098349,0.10673070,-0.03688185,-0.01011956,0.00106165,0 .00021834,-0.01907237,0.00825426,-0.00599939,-0.00784277,0.00173508,-0 .00128027,-0.00208371,-0.00067793,-0.00135245,0.01977932,-0.01708525,0 .04529562,-0.02265965,-0.17766925,0.08144042,-0.00445311,-0.02589934,0 .01803011,-0.00507730,-0.00148493,-0.00184935,-0.00208365,-0.00118822, 0.00113359,0.01493462,-0.01643276,0.02291673,0.01933909,0.22267451,0.0 0884740,0.08811533,-0.07707053,-0.00082252,0.01024855,0.00015675,0.000 01818,-0.00332122,0.00196098,-0.00067793,0.00113371,0.00135936,-0.0140 7729,0.02549514,-0.01564592,0.00671217,-0.12167150,0.08923936\\-0.0003 2859,-0.00023847,-0.00002534,0.00032758,0.00023960,0.00002720,0.000054 65,-0.00016550,0.00013106,-0.00012630,0.00011238,-0.00013778,-0.000054 13,0.00016492,-0.00013197,0.00012679,-0.00011292,0.00013683\\\@ tetrafluoroethene \\1,2\C,0,2.2221327815,1.2375772504,0.1162942797\F,0,2.78 49482183,2.3654063716,0.1785512827\F,0,2.9456596751,0.2037089821,0.100 376222\C,0,0.8094714045,1.134410408,0.065404038\F,0,0.246628921,0.0065 979004,0.0031443111\F,0,0.0859689544,2.168299035,0.0813212267\\Version =EM64L-G09RevA.02\State=2-A\MP2/GTBas1=-473.9911896\MP4/GTBas1=-474.03 79415\CCSD(T)/G3Bas1=-474.027348\MP2/GTBas2=-474.0130857\MP4/GTBas2=-4 74.0624608\MP2/GTBas3=-474.279857\MP4/GTBas3=-474.3437787\HF/GTLargeXP =-473.2693167\MP2/GTLargeXP=-474.8167333\HF/GFHFB1=-473.3163424\HF/GFH FB2=-473.3260088\G4=-475.0330223\FreqCoord=4.199222388,2.3386820715,0. 2197643395,5.2627894269,4.4699702353,0.3374130249,5.5664900666,0.38495 41869,0.1896835698,1.5296792669,2.1437249934,0.1235957199,0.4660611172 ,0.0124682248,0.0059418868,0.1624577798,4.0974913504,0.1536748473\PG=C 01 [X(C2F4)]\NImag=0\\0.84474530,0.00002355,0.83140804,0.02442859,0.02 790761,0.11092528,-0.19784742,-0.18302817,-0.01242402,0.18851022,-0.19 484450,-0.39980137,-0.02049995,0.20959008,0.48959981,-0.01288052,-0.02 010752,-0.03782072,0.01378385,0.02520756,0.01866030,-0.25760796,0.2048 7147,0.00057715,0.02839299,-0.00395025,0.00045783,0.25648251,0.2166871 0,-0.34109765,-0.00456827,0.01901851,-0.07271803,-0.00256443,-0.245073 40,0.42282462,0.00103362,-0.00496068,-0.03677242,0.00134517,-0.0033270 2,0.00992386,-0.00152392,0.00753211,0.01746828,-0.37333492,-0.02375421 ,-0.01195387,-0.00486612,0.00452571,-0.00007214,-0.01108863,-0.0026401 4,-0.00055556,0.84474259,-0.02375318,-0.04968467,-0.00112615,-0.044279 74,-0.02347113,-0.00247631,0.04616516,-0.01735348,0.00076302,0.0000413 4,0.83141065,-0.01195418,-0.00112621,-0.04138959,-0.00195754,-0.000855 69,0.00247440,0.00132998,-0.00085758,0.00258305,0.02443013,0.02790837, 0.11092540,-0.00486459,-0.04427883,-0.00195759,-0.01151537,-0.00682175 ,-0.00088140,-0.00267421,0.00552139,0.00013401,-0.19785811,-0.18303762 ,-0.01242521,0.18851891,0.00452639,-0.02346850,-0.00085582,-0.00682105 ,-0.01090567,-0.00092181,-0.00850023,0.01729585,0.00039700,-0.19485317 ,-0.39980036,-0.02050077,0.20960088,0.48959710,-0.00007197,-0.00247625 ,0.00247395,-0.00088139,-0.00092188,0.00702822,-0.00040772,0.00086259, -0.00026586,-0.01288177,-0.02010860,-0.03781991,0.01378508,0.02520858, 0.01865975,-0.01109041,0.04616619,0.00132975,-0.00267430,-0.00849929,- 0.00040764,-0.01350470,0.00648654,-0.00043332,-0.25759480,0.20486404,0 .00057682,0.02839337,-0.00395282,0.00045777,0.25647083,-0.00263935,-0. 01735586,-0.00085742,0.00552037,0.01729639,0.00086251,0.00648725,-0.00 895131,-0.00040444,0.21668046,-0.34110101,-0.00456812,0.01901593,-0.07 271841,-0.00256445,-0.24506466,0.42283020,-0.00055554,0.00076305,0.002 58350,0.00013394,0.00039698,-0.00026605,-0.00043332,-0.00040442,0.0070 6309,0.00103320,-0.00496033,-0.03677335,0.00134512,-0.00332719,0.00992 385,-0.00152339,0.00753192,0.01746897\\0.00000920,-0.00000094,0.000000 35,-0.00000601,0.00000290,-0.00000015,-0.00000509,-0.00000202,-0.00000 031,-0.00000893,-0.00000279,-0.00000017,0.00000539,-0.00000107,0.00000 004,0.00000544,0.00000392,0.00000023\\\@ trichloroethene \\1,2\C,0,1.353476936,1.0982922823,0.0565867308\C,0,2. 6356047818,1.6840054653,0.1010915409\Cl,0,3.9613087475,0.6563975523,0. 0651193832\Cl,0,2.873652668,3.3349750569,0.1867941809\Cl,0,-0.05275504 89,1.971536602,0.0838721419\H,0,1.2637018996,0.016902973,0.001237381\\ Version=EM64L-G09RevA.02\State=2-A\MP2/GTBas1=-1455.0310497\MP4/GTBas1 =-1455.104171\CCSD(T)/G3Bas1=-1455.1029543\MP2/GTBas2=-1455.038062\MP4 /GTBas2=-1455.1118246\MP2/GTBas3=-1455.2303056\MP4/GTBas3=-1455.329498 9\HF/GTLargeXP=-1454.529988\MP2/GTLargeXP=-1456.4175776\HF/GFHFB1=-145 4.5635364\HF/GFHFB2=-1454.5688589\G4=-1456.6342303\FreqCoord=2.5577007 362,2.0754716274,0.1069334239,4.9805712321,3.1823091358,0.1910353267,7 .4857886606,1.2404116082,0.1230578003,5.4304165435,6.3021895175,0.3529 898451,-0.0996925945,3.7256642387,0.1584953784,2.3880505039,0.03194198 97,0.0023383113\PG=C01 [X(C2H1Cl3)]\NImag=0\\0.56230365,0.03664248,0.6 2170587,0.00728569,0.02663306,0.10125558,-0.27508831,-0.10870991,-0.00 802884,0.52227300,-0.10534011,-0.12866547,-0.00485048,0.05711251,0.455 81540,-0.00786007,-0.00489018,-0.05709968,0.00785033,0.01857645,0.1002 4818,-0.03624804,0.02142805,0.00054764,-0.16557768,0.08039271,0.002408 60,0.20523010,0.00645329,0.00401201,-0.00015322,0.09221091,-0.09847298 ,-0.00248094,-0.12082876,0.13357596,-0.00020398,0.00002311,0.00857843, 0.00300176,-0.00262004,-0.02751773,-0.00376744,0.00477627,0.01028735,- 0.00306846,-0.02799816,-0.00154348,-0.04545195,-0.02781698,-0.00157945 ,0.00213844,0.02384039,0.00113106,0.05280446,-0.00876131,-0.03461100,- 0.00227401,-0.04167666,-0.22402972,-0.01023629,0.01729553,-0.04044349, -0.00221531,0.03749846,0.29458481,-0.00057747,-0.00250048,0.00848896,- 0.00227542,-0.01007329,-0.03047276,0.00080241,-0.00213813,0.00763793,0 .00237183,0.01466600,0.01205645,-0.20049292,0.10593470,0.00324466,-0.0 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17,-0.00033694,0.00767884,0.00191699,0.01732494,0.01881702\\0.00040158 ,-0.00029873,-0.00001012,0.00003297,0.00027403,0.00001315,-0.00013429, 0.00005652,0.00000159,0.00004953,-0.00017348,-0.00000778,-0.00020583,0 .00007217,0.00000127,-0.00014396,0.00006948,0.00000189\\\@ trichloroacetaldehyde \\1,2\C,0,1.5065116812,-0.1577127109,0.0678153234\C, 0,-0.5236248203,-0.263444421,-0.3109370016\Cl,0,-0.5919085305,-1.92684 75153,-0.7439906611\Cl,0,-0.576604067,0.8720603358,-1.6022035556\Cl,0, -1.2701983911,0.1876753296,1.1468714154\O,0,1.8243779961,0.1637820862, 1.1179953655\H,0,1.9377161316,-0.4566331043,-0.896290886\\Version=EM64 L-G09RevA.02\State=2-A\MP2/GTBas1=-1530.0311851\MP4/GTBas1=-1530.11129 65\CCSD(T)/G3Bas1=-1530.106323\MP2/GTBas2=-1530.0439725\MP4/GTBas2=-15 30.1254013\MP2/GTBas3=-1530.2840673\MP4/GTBas3=-1530.3936661\HF/GTLarg eXP=-1529.3691698\MP2/GTLargeXP=-1531.5560977\HF/GFHFB1=-1529.4093344\ HF/GFHFB2=-1529.4156573\G4=-1531.8085923\FreqCoord=2.8468944934,-0.298 0338313,0.1281523889,-0.9895075067,-0.497837807,-0.5875857776,-1.11854 50184,-3.6412141037,-1.4059385948,-1.0896237737,1.647955206,-3.0277259 293,-2.4003270937,0.3546549748,2.1672728847,3.4475747756,0.3095032883, 2.1127050585,3.661752812,-0.8629115103,-1.6937443099\PG=C01 [X(C2H1Cl3 O1)]\NImag=0\\0.18202842,0.03597298,0.21437350,0.11816598,0.34271593,1 .22484386,0.02193946,0.00817541,0.02715060,0.11243314,0.00448619,-0.00 910044,0.00270192,-0.01817438,0.29113756,0.01518186,0.00276898,-0.0006 0259,-0.06254041,0.00557924,0.30619710,-0.00577429,-0.01174153,-0.0010 0675,-0.02767317,-0.01758732,-0.00153760,0.02331542,-0.00342349,-0.013 99043,-0.00166838,-0.00085387,-0.15740067,-0.03086353,0.01077229,0.223 81536,-0.00116035,-0.00480811,0.00134818,0.00039028,-0.03612257,-0.040 70364,-0.00308900,0.04841367,0.05014271,-0.00564858,0.00912689,-0.0073 5208,-0.02750416,0.01286897,-0.01022536,0.00730805,-0.00417624,0.00134 904,0.02311082,0.00217605,-0.00628875,0.00684541,0.00009635,-0.0897129 1,0.06400990,0.00372493,-0.03629624,0.01809812,-0.00933696,0.12443167, -0.00280485,0.00996183,-0.00652908,0.00081577,0.06920535,-0.10845479,- 0.00112227,0.00935756,0.00426395,0.00208673,-0.09858775,0.14964097,-0. 01433144,0.00380828,0.01214487,-0.05570458,0.01969384,0.06386189,0.003 41535,0.00357924,0.00458973,0.00329646,-0.00039508,0.00607154,0.067833 93,0.00089382,0.00054463,-0.00359850,0.01717457,-0.04400645,-0.0349488 5,0.01301389,-0.01819829,-0.02655891,-0.00487202,0.00566712,0.01380223 ,-0.02651120,0.05583117,0.00265261,-0.00355217,-0.00986657,0.05564246, -0.03490532,-0.14611465,0.01057197,-0.02129615,-0.01311567,0.01625885, 0.00845510,-0.03685407,-0.08603418,0.04925996,0.19976988,-0.11075340,- 0.08102845,-0.26453331,-0.01305477,-0.00350160,-0.01169480,-0.00113442 ,-0.00423976,-0.00132857,-0.00111610,0.00278612,-0.00349081,-0.0017647 9,-0.00022678,-0.00076745,0.12111340,-0.06960109,-0.12820202,-0.281192 51,-0.00475963,0.00496333,-0.00546052,0.00174284,0.00072939,0.00022909 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862,0.26593136\\0.00001189,-0.00000655,-0.00003452,-0.00000943,-0.0000 2074,0.00002195,-0.00000918,0.00000636,0.00000021,-0.00000340,0.000011 15,-0.00000845,0.00000466,0.00000261,0.00000313,0.00000019,0.00000763, 0.00002009,0.00000526,-0.00000047,-0.00000240\\\@ trifluoroethene \\1,2\C,0,1.0105299571,0.2442006531,0.\C,0,-0.407414543 1,0.2317807672,0.\F,0,-1.0675695727,-0.8399191421,0.\F,0,-1.0592531892 ,1.3103951139,0.\F,0,1.6119392132,-0.8760879239,0.\H,0,1.5936281347,1. 1632205318,0.\\Version=EM64L-G09RevA.02\State=2-A"\MP2/GTBas1=-374.977 8215\MP4/GTBas1=-375.0221577\CCSD(T)/G3Bas1=-375.0147645\MP2/GTBas2=-3 74.9954631\MP4/GTBas2=-375.0417448\MP2/GTBas3=-375.2091529\MP4/GTBas3= -375.2674116\HF/GTLargeXP=-374.3914853\MP2/GTLargeXP=-375.6412182\HF/G FHFB1=-374.4285487\HF/GFHFB2=-374.4361459\G4=-375.8133476\FreqCoord=1. 909624868,0.4614723558,0.,-0.7699019091,0.4380021729,0.,-2.0174141201, -1.5872171524,0.,-2.001698433,2.4762878912,0.,3.0461236559,-1.65556624 45,0.,3.0115207322,2.1981682373,0.\PG=CS [SG(C2H1F3)]\NImag=0\\0.71497 038,-0.02054173,0.78727167,0.,0.,0.10496041,-0.34906157,0.00092311,0., 0.84055083,-0.03221362,-0.07782962,0.,0.00195668,0.82590440,0.,0.,-0.0 5831487,0.,0.,0.14195085,-0.02166547,-0.05883906,0.,-0.23480775,-0.197 17932,0.,0.22949109,-0.01142942,-0.03233950,0.,-0.20548220,-0.36646194 ,0.,0.23230274,0.45901556,0.,0.,0.01293282,0.,0.,-0.04800128,0.,0.,0.0 2023881,-0.01137920,0.03925648,0.,-0.23295311,0.19677495,0.,0.02978537 ,-0.01246373,0.,0.22644988,0.01088280,-0.00039199,0.,0.20248236,-0.368 01071,0.,0.01109634,-0.08061341,0.,-0.23022437,0.45946701,0.,0.,0.0076 2978,0.,0.,-0.04601877,0.,0.,0.01304654,0.,0.,0.01995290,-0.18216947,0 .17937076,0.,-0.01530028,0.05298197,0.,0.00123369,-0.00484148,0.,-0.01 319712,0.00640059,0.,0.19410946,0.18619055,-0.42295571,0.,-0.00035762, -0.02138344,0.,0.00789565,0.01814608,0.,0.00682785,-0.01000426,0.,-0.2 2661049,0.46342726,0.,0.,-0.03263912,0.,0.,0.00514411,0.,0.,-0.0027975 1,0.,0.,0.00629328,0.,0.,0.01538764,-0.15069466,-0.14016957,0.,-0.0084 2811,-0.02232066,0.,-0.00403692,0.00191409,0.,0.00129418,-0.00063771,0 .,0.01532372,0.02605406,0.,0.14654179,-0.13288857,-0.25375486,0.,0.000 47768,0.00778131,0.,0.00472365,0.00225321,0.,-0.00017118,-0.00044664,0 .,-0.00730136,-0.02722993,0.,0.13515978,0.27139691,0.,0.,-0.03456901,0 .,0.,0.00523995,0.,0.,0.00458063,0.,0.,-0.00090373,0.,0.,0.00861159,0. ,0.,0.01704057\\0.00002310,0.00006432,0.,-0.00004653,0.00002921,0.,0.0 0003426,0.00002803,0.,-0.00002548,-0.00003764,0.,0.00000843,-0.0000742 6,0.,0.00000623,-0.00000966,0.\\\@ acetylene \\1,2\C,0,1.0347234625,0.1005091547,0.0153462564\H,0,-0.0 447655335,0.1480895071,0.0226185315\C,0,2.2806307369,0.0455936276,0.00 69528588\H,0,3.3601211238,-0.0019867861,-0.0003194257\\Version=EM64L-G 09RevA.02\MP2/GTBas1=-76.6636861\MP4/GTBas1=-76.694427\CCSD(T)/G3Bas1= -76.6962051\MP2/GTBas2=-76.6645867\MP4/GTBas2=-76.6954051\MP2/GTBas3=- 76.7118809\MP4/GTBas3=-76.7457687\HF/GTLargeXP=-76.4877832\MP2/GTLarge XP=-76.8218053\HF/GFHFB1=-76.4944621\HF/GFHFB2=-76.4956283\G4=-76.8708 221\FreqCoord=1.9553439675,0.1899347762,0.0290002218,-0.0845945984,0.2 798486116,0.04274283,4.3097675031,0.0861594696,0.0131389989,6.34970869 73,-0.0037544817,-0.000603627\PG=C*V [C*(H1C1C1H1)]\NImag=0\\1.3374646 4,-0.05603931,0.06867595,-0.00874983,-0.00056101,0.04484838,-0.3912628 8,0.01591372,0.00249451,0.37866073,0.01591372,-0.03096730,0.00020902,- 0.01593601,0.01782537,0.00249451,0.00020902,-0.02306669,-0.00245314,0. 00001869,0.01511611,-0.95911526,0.04020396,0.00634639,0.01291350,-0.00 007837,-0.00009106,1.33746164,0.04020396,-0.04890957,0.00075340,-0.000 07837,0.01120094,-0.00040141,-0.05603916,0.06867632,0.00634639,0.00075 340,-0.02380806,-0.00009106,-0.00040141,0.00202639,-0.00874981,-0.0005 6101,0.04484878,0.01291349,-0.00007837,-0.00009106,-0.00031135,0.00010 066,0.00004970,-0.39125988,0.01591357,0.00249448,0.37865773,-0.0000783 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267091\HF/GFHFB2=-995.6306752\G4=-997.1364666\FreqCoord=1.8223555226,1 .0204559464,0.9719054262,2.2897417701,3.4113295848,2.0269983561,5.1541 368303,4.7254684791,1.7837213106,-0.0143859189,4.9630627706,3.53495729 92,3.3207504559,0.0153514473,-0.0067233191,-0.0388013316,0.1697479217, 1.1315536939\PG=C01 [X(C2H2Cl2)]\NImag=0\\0.63358868,0.06033591,0.5394 7268,-0.13472875,0.19663476,0.25213763,-0.09094786,-0.04352932,-0.0119 0821,0.40222515,-0.04352928,-0.28741779,-0.10099913,0.05971339,0.47553 295,-0.01190824,-0.10099904,-0.10635582,-0.06466252,0.16890893,0.20764 020,-0.02187161,-0.02267100,-0.00135889,-0.18794636,-0.07935525,0.0099 7364,0.25085010,-0.03456741,-0.01488752,-0.00157838,-0.07319453,-0.077 71136,-0.00093278,0.10274244,0.08382198,-0.00734296,-0.00533414,0.0095 8080,0.01307262,0.00101219,-0.03353588,-0.02420973,0.00446281,0.020353 74,-0.00269217,0.01404595,0.01105510,-0.13148769,0.06992576,0.06723958 ,-0.04311251,0.00570027,0.01915031,0.17517494,0.02594266,-0.01939683,- 0.02294987,0.06376502,-0.09099101,-0.05085166,-0.00015599,0.01038886,0 .00101731,-0.08908533,0.10161962,0.01703936,-0.01919410,-0.00508844,0. 06414057,-0.05279656,-0.07672401,0.01620458,-0.00083154,0.00293025,-0. 09681042,0.07397637,0.07823949,-0.21703390,0.10561445,0.11039276,0.007 51474,-0.00714571,-0.00330166,-0.00001722,-0.00120877,-0.00093467,0.00 166786,-0.00216446,-0.00095423,0.21573773,0.09913732,-0.11875896,-0.07 310912,0.01781259,-0.01051460,-0.01515895,0.00051501,0.00054209,0.0006 3920,-0.00056122,-0.00205314,-0.00190888,-0.10699156,0.11941659,0.1071 3464,-0.07515397,-0.10726385,0.00925281,-0.00727959,0.00185917,-0.0000 6760,0.00118342,-0.00043526,-0.00014778,-0.00140275,0.00143502,-0.1170 5045,0.08607568,0.09569755,-0.30104315,-0.11379598,0.02654799,0.000642 03,0.00039109,0.00265920,0.00209760,0.00052801,0.00026442,0.00044958,0 .00169810,0.00038014,-0.00786920,-0.00991213,0.00087837,0.30572314,-0. 10731919,-0.09901159,0.00200174,-0.02456714,-0.00889818,-0.00096650,-0 .00107521,-0.00215406,-0.00179736,-0.00002542,0.00043249,0.00075472,0. 01189605,0.01136802,-0.00342278,0.12109091,0.09826333,0.02980595,0.004 04649,-0.04301031,-0.00989527,-0.00884583,0.00711633,-0.00054201,-0.00 230352,0.00110635,-0.00048680,0.00021060,-0.00079231,0.01184824,0.0034 6207,0.00870738,-0.03073012,0.00343019,0.02687256\\0.00008409,0.000448 86,0.00019910,0.00001862,0.00010588,0.00004797,-0.00008592,-0.00006619 ,-0.00000638,0.00006093,-0.00007382,-0.00005654,-0.00012473,-0.0002037 9,-0.00006314,0.00004701,-0.00021094,-0.00012100\\\@ cis-1,2-dichloroethene \\1,2\C,0,2.1845246919,1.485131895,0.1200271333\C,0,0. 7847473079,1.4313624473,0.0880793274\Cl,0,3.1706062951,0.1575374758,0. 0741545006\H,0,2.6748136049,2.4544218667,0.1788131224\H,0,0.2194148133 ,2.3601006317,0.1227721716\Cl,0,-0.0935167354,0.03214563,-0.0003451885 \\Version=EM64L-G09RevA.02\State=2-A\MP2/GTBas1=-996.0023448\MP4/GTBas 1=-996.0635134\CCSD(T)/G3Bas1=-996.0646326\MP2/GTBas2=-996.0070132\MP4 /GTBas2=-996.0686635\MP2/GTBas3=-996.1551738\MP4/GTBas3=-996.2350636\H F/GTLargeXP=-995.606155\MP2/GTLargeXP=-996.9848912\HF/GFHFB1=-995.6307 701\HF/GFHFB2=-995.634847\G4=-997.1435701\FreqCoord=4.1281533982,2.806 4925527,0.2268184105,1.4829574955,2.7048830223,0.1664458068,5.99157757 29,0.297702685,0.1401316977,5.0546651697,4.6381851427,0.3379078302,0.4 146339067,4.4599438399,0.2320057811,-0.1767210187,0.0607464372,-0.0006 523117\PG=C01 [X(C2H2Cl2)]\NImag=0\\0.61616540,0.04719194,0.57929571,0 .01302549,0.02468709,0.10751608,-0.35274112,-0.01858967,-0.00708424,0. 62345479,-0.00187485,-0.08595602,-0.00142301,-0.04486376,0.57221348,-0 .00624722,-0.00177234,-0.05854140,0.00856802,0.02240854,0.10730842,-0. 11551360,0.10681243,0.00349605,-0.02750372,0.03622208,0.00108565,0.145 39944,0.10215464,-0.19968650,-0.00651939,0.01603962,-0.01313642,-0.000 69017,-0.14148114,0.22348484,0.00326280,-0.00642204,-0.02711715,0.0000 7498,-0.00026836,0.00732815,-0.00424234,0.00776422,0.00969049,-0.11284 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[X(C2H3F1)]\NImag=0\\0.66232780,-0.00576518,0.67732243,0. 02403401,-0.00863707,0.11416491,-0.34219192,-0.08716677,-0.01065491,0. 74804240,-0.08905986,-0.14311533,-0.00276743,-0.00310316,0.75697810,-0 .01062682,-0.00268486,-0.06849517,0.02634729,-0.00923236,0.14601566,0. 01154919,-0.04914035,0.00066137,-0.09491520,-0.00321166,-0.00214041,0. 07335059,-0.01803473,-0.05298923,0.00019616,0.00463666,-0.51476066,0.0 0718603,0.01837203,0.59479864,0.00019918,-0.00115990,0.01315291,-0.002 25699,0.00684388,-0.04492323,0.00220009,-0.00778973,0.01683361,-0.2639 1421,0.12882454,-0.01179727,-0.02025019,0.01308817,-0.00159029,0.00323 984,0.00219328,0.00023122,0.27469326,0.13522971,-0.14017060,0.00742522 ,-0.01884977,0.01299407,-0.00083998,0.00222933,0.00058999,0.00004665,- 0.13815963,0.13334288,-0.01189243,0.00714600,-0.03783835,-0.00111572,0 .00055235,0.01171063,0.00023068,0.00004508,-0.00280208,0.01334055,-0.0 0777009,0.01647093,-0.05721672,0.00191739,-0.00097197,0.00512814,-0.02 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120,-0.00000330,-0.00000136,0.00000321,-0.00000194,-0.00000016,0.00000 445\\\@ 2-methyl-1-buten-3-yne \\1,2\C,0,2.201527421,2.4044508478,1.099596171\C,0,1.0314 615214,2.7448713834,1.018400811\C,0,3.5302316694,2.0131058815,1.191007 1883\C,0,3.9111871814,0.5834739458,0.9956980287\C,0,4.4709504958,3.015 8066774,1.4708384833\H,0,0.0061025249,3.0436359927,0.9473641416\H,0,3. 586555716,0.2419182306,0.0043365022\H,0,4.9859521968,0.4348546865,1.09 90721396\H,0,3.3812603213,-0.0474869494,1.7208424739\H,0,5.5262537298, 2.7727925227,1.5548651777\H,0,4.1654072222,4.0480667811,1.6081788828\\ Version=EM64L-G09RevA.02\State=2-A\MP2/GTBas1=-193.0457945\MP4/GTBas1= -193.1201404\CCSD(T)/G3Bas1=-193.126692\MP2/GTBas2=-193.051437\MP4/GTB as2=-193.1261368\MP2/GTBas3=-193.1892178\MP4/GTBas3=-193.2722955\HF/GT LargeXP=-192.5285116\MP2/GTLargeXP=-193.4756564\HF/GFHFB1=-192.5439768 \HF/GFHFB2=-192.546874\G4=-193.5865326\FreqCoord=4.1602838998,4.543753 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0.00001500,-0.00000778,0.\\\@ m-dichlorobenzene \\1,2\C,0,-0.4846745988,1.5693726376,0.\C,0,-1.1997104 147,0.3178403898,0.\C,0,0.9028973293,1.5741173449,0.\C,0,1.5869282883, 0.3668547134,0.\C,0,0.8547651901,-0.874735011,0.\C,0,-0.5345346795,-0. 9021806044,0.\Cl,0,1.7459664197,-2.3174251992,0.\Cl,0,-2.894461885,0.3 762343726,0.\H,0,-1.0534571042,2.4923250752,0.\H,0,1.4467722236,2.5110 617058,0.\H,0,2.6704621544,0.330676887,0.\H,0,-1.0777929232,-1.8380623 118,0.\\Version=EM64L-G09RevA.02\State=2-A"\MP2/GTBas1=-1149.1876758\M P4/GTBas1=-1149.2935727\CCSD(T)/G3Bas1=-1149.2953372\MP2/GTBas2=-1149. 1990409\MP4/GTBas2=-1149.3055588\MP2/GTBas3=-1149.4416413\MP4/GTBas3=- 1149.5709485\HF/GTLargeXP=-1148.3424257\MP2/GTLargeXP=-1150.4975843\HF /GFHFB1=-1148.3790938\HF/GFHFB2=-1148.3848565\G4=-1150.7388567\FreqCoo rd=-0.9159022553,2.9656844854,0.,-2.2671241226,0.6006312908,0.,1.70622 86785,2.9746506828,0.,2.9988598574,0.693254939,0.,1.6152721172,-1.6530 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494,-0.0076256534,0.\C,0,0.6915572674,1.2355806614,0.\C,0,1.3860723822 ,-0.0070626102,0.\C,0,0.6920717347,-1.2499687763,0.\Cl,0,3.0744488901, -0.0066948614,0.\C,0,-0.6768211984,-1.2502445402,0.\Cl,0,-3.0597071115 ,-0.0079489829,0.\H,0,-1.241484081,2.160207641,0.\H,0,1.255340145,2.16 07207695,0.\H,0,1.2561946307,-2.1749023284,0.\H,0,-1.2405670138,-2.175 4086477,0.\\Version=EM64L-G09RevA.02\State=2-A"\MP2/GTBas1=-1149.19986 69\MP4/GTBas1=-1149.3038406\CCSD(T)/G3Bas1=-1149.3030679\MP2/GTBas2=-1 149.2112102\MP4/GTBas2=-1149.3157611\MP2/GTBas3=-1149.4545268\MP4/GTBa s3=-1149.581565\HF/GTLargeXP=-1148.345441\MP2/GTLargeXP=-1150.5106548\ HF/GFHFB1=-1148.3820598\HF/GFHFB2=-1148.3878776\G4=-1150.7464799\FreqC oord=-1.2799555331,2.3343736435,0.,-2.5914425776,-0.0144103965,0.,1.30 68538406,2.3349090651,0.,2.6192972027,-0.013346399,0.,1.307826043,-2.3 620986618,0.,5.8098664118,-0.0126514546,0.,-1.2790067059,-2.36261978,0 .,-5.7820084876,-0.0150214006,0.,-2.3460649114,4.0822008317,0.,2.37224 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058929,0.00171429,-0.00131323,0.00013662,0.00001729,0.00003279,-0.0001 7147,0.00007688,0.00017937,0.00000617,-0.00012164,-0.00014622,-0.00038 970,0.00013912,-0.00012258,0.01622456,0.01013629,0.01603812,-0.0092979 9,-0.00471851,-0.01137955,0.06339523,0.07512894,-0.00052181,0.00105623 ,0.00131122,0.00397057,-0.00003269,-0.00126418,0.01176710,0.00395466,0 .00874673,-0.12593931,-0.05294875,-0.16919662,-0.00056495,0.00160625,- 0.00001204,0.00049646,-0.00106567,0.00056993,-0.00014110,0.00013271,0. 00005506,-0.00003384,-0.00008335,0.00003281,-0.00013772,0.00031726,-0. 00006289,0.00038097,0.00013605,-0.00005437,-0.00532325,-0.00487684,-0. 00760092,-0.01549157,-0.00761179,-0.01610729,0.13153844,0.05941592,0.1 8358256\\0.00001309,0.00005423,-0.00001114,0.00007359,-0.00005984,0.00 003397,-0.00006933,-0.00001948,0.00005294,0.00000865,0.00003358,-0.000 02684,0.00007977,-0.00001004,0.00002356,-0.00003613,0.00003069,-0.0000 5986,-0.00001146,-0.00001690,0.00000845,-0.00002002,0.00001629,0.00000 241,-0.00001700,-0.00000174,-0.00002853,-0.00002846,0.00000815,-0.0000 2035,-0.00000578,-0.00002264,0.00001264,0.00000912,0.00000091,-0.00000 170,0.00000396,-0.00001320,0.00001444\\\@ W1BD ARCHIVE ENTRIES cyanogen chloride \\1,2\C,0,0.1147200926,-0.0068676401,0.\Cl,0,-1. 4458525085,-0.1162331125,0.\N,0,1.3120409951,0.0770410265,0.\\Version= EM64L-G09RevA.02\BDRef/AVTZ+2d1f=-551.4121455\BDRef/AVQZ+2d1f=-551.421 0825\BDRefExt=-551.4238631\BD/AVTZ+2d1f=-551.9331092\BD/AVQZ+2d1f=-551 .9674948\BDExt=-0.5630973\BD(T)/AVDZ+2d=-551.8360494\BD(T)/AVTZ+2d1f=0 .\TExt=-0.0336978\BD(T)/MTsmall=-551.9683701\DK-BD(T,FU)/MTsmall=-553. 8428475\Core+Rel=-1.8744774\W1BD=-553.88717\FreqCoord=0.216789557,-0.0 129779591,0.,-2.7322652696,-0.2196487503,0.,2.4793981558,0.145586441,0 .\PG=C*V [C*(N1C1Cl1)]\NImag=0\\1.20308275,0.08164410,0.04379742,0.000 08046,-0.00114809,0.05441778,-0.37874314,-0.02538241,-0.00003499,0.425 48225,-0.02538241,-0.01833188,0.00049930,0.02931274,0.00926321,-0.0000 3499,0.00049930,-0.02366011,0.00001524,-0.00021750,0.01030483,-0.82433 961,-0.05626169,-0.00004547,-0.04673911,-0.00393033,0.00001975,0.87107 871,-0.05626169,-0.02546555,0.00064879,-0.00393033,0.00906867,-0.00028 180,0.06019202,0.01639688,-0.00004547,0.00064879,-0.03075767,0.0000197 5,-0.00028180,0.01335528,0.00002572,-0.00036699,0.01740239\\-0.0000366 0,-0.00000257,0.,0.00002528,0.00000177,0.,0.00001133,0.00000079,0.\\\@ carbonic difluoride \\1,2\C,0,0.006010588,0.0146699244,0.\F,0,-1.0746 937429,0.6354340472,0.\F,0,1.0900070243,0.6296504273,0.\O,0,0.00260613 06,-1.2511543989,0.\\Version=EM64L-G09RevA.02\State=2-A'\BDRef/AVTZ+2d 1f=-311.312196\BDRef/AVQZ+2d1f=-311.3348881\BDRefExt=-311.3419485\BD/A VTZ+2d1f=-312.1580393\BD/AVQZ+2d1f=-312.2359429\BDExt=-0.9372533\BD(T) /AVDZ+2d=-311.9321319\BD(T)/AVTZ+2d1f=0.\TExt=-0.0374456\BD(T)/MTsmall =-312.2113462\DK-BD(T,FU)/MTsmall=-312.6725222\Core+Rel=-0.461176\W1BD =-312.7644032\FreqCoord=0.0113583653,0.0277221394,0.,-2.0308768509,1.2 007963247,0.,2.0598147589,1.1898668671,0.,0.0049248731,-2.3643391639,0 .\PG=CS [SG(C1F2O1)]\NImag=0\\0.79471391,0.00019462,0.85735806,0.,0.,0 .21288556,-0.38575807,0.17510257,0.,0.48465445,0.20901505,-0.20084115, 0.,-0.23829050,0.22191940,0.,0.,-0.07152504,0.,0.,0.02405553,-0.387830 50,-0.17412167,0.,-0.08179082,-0.01327016,0.,0.48721937,-0.20803143,-0 .19880108,0.,0.01385321,0.02750939,0.,0.23688841,0.21938494,0.,0.,-0.0 7152215,0.,0.,0.02399418,0.,0.,0.02405281,-0.02112534,-0.00117552,0.,- 0.01710555,0.04254562,0.,-0.01759805,-0.04271019,0.,0.05582894,-0.0011 7824,-0.45771583,0.,0.04933472,-0.04858765,0.,-0.04949658,-0.04809325, 0.,0.00134010,0.55439673,0.,0.,-0.06983836,0.,0.,0.02347533,0.,0.,0.02 347515,0.,0.,0.02288788\\0.00000753,0.00000816,0.,-0.00003046,-0.00001 350,0.,0.00002471,-0.00001435,0.,-0.00000179,0.00001969,0.\\\@ hydrogen cyanide \\1,2\C,0,0.2615086072,0.,0.\H,0,-0.8309489551,0. ,0.\N,0,1.4694403479,0.,0.\\Version=EM64L-G09RevA.02\BDRef/AVTZ+2d1f=- 92.4647269\BDRef/AVQZ+2d1f=-92.4700736\BDRefExt=-92.4717371\BD/AVTZ+2d 1f=-92.7687398\BD/AVQZ+2d1f=-92.7880733\BDExt=-0.32717\BD(T)/AVDZ+2d=- 92.7132805\BD(T)/AVTZ+2d1f=0.\TExt=-0.015708\BD(T)/MTsmall=-92.7897198 \DK-BD(T,FU)/MTsmall=-92.9354899\Core+Rel=-0.14577\W1BD=-92.9462177\Fr eqCoord=0.494179649,0.,0.,-1.5702659555,0.,0.,2.7768398261,0.,0.\PG=C* V [C*(H1C1N1)]\NImag=0\\1.33232329,0.,0.05740400,0.,0.,0.02253291,-0.3 5685964,0.,0.,0.34370524,0.,-0.03017014,0.,0.,0.01585127,0.,0.,-0.0118 5657,0.,0.,0.00623875,-0.97546365,0.,0.,0.01315440,0.,0.,0.96230925,0. ,-0.02723386,0.,0.,0.01431887,0.,0.,0.01291500,0.,0.,-0.01067634,0.,0. ,0.00561782,0.,0.,0.00505853\\0.00011146,0.,0.,-0.00006626,0.,0.,-0.00 004519,0.,0.\\\@ difluoromethane \\1,2\F,0,-0.0183161721,-0.0003951096,1.315343054 8\C,0,0.7743015993,0.8430832494,0.7663883864\F,0,1.8102328734,0.353979 7798,0.1933513806\H,0,1.0450492257,1.724473908,1.4863300903\H,0,0.2040 421582,1.5961481242,0.0758865583\\Version=EM64L-G09RevA.02\State=2-A\B DRef/AVTZ+2d1f=-237.531846\BDRef/AVQZ+2d1f=-237.5494517\BDRefExt=-237. 5549295\BD/AVTZ+2d1f=-238.2190784\BD/AVQZ+2d1f=-238.2802673\BDExt=-0.7 593903\BD(T)/AVDZ+2d=-238.041191\BD(T)/AVTZ+2d1f=0.\TExt=-0.0301892\BD (T)/MTsmall=-238.2603853\DK-BD(T,FU)/MTsmall=-238.614481\Core+Rel=-0.3 540956\W1BD=-238.6725399\FreqCoord=-0.0346125491,-0.000746649,2.485638 1444,1.4632179668,1.5931964486,1.4482641618,3.4208443674,0.6689248405, 0.3653811568,1.9748568319,3.2587834094,2.8087568137,0.3855837986,3.016 2828223,0.1434048123\PG=C01 [X(C1H2F2)]\NImag=0\\0.23685707,0.18733963 ,0.27537386,-0.14289204,-0.13433341,0.12302417,-0.17124333,-0.14507957 ,0.10558571,0.49842493,-0.13414255,-0.25587503,0.10171728,-0.01085059, 0.57717627,0.10455695,0.10818795,-0.08838570,-0.21712153,-0.03368977,0 .26509722,-0.05531845,-0.00548356,0.03630404,-0.27264448,0.12211930,0. 14176582,0.36346736,-0.02681686,0.02631321,0.01402703,0.13301494,-0.14 860336,-0.06727262,-0.14637540,0.14132717,0.03824998,0.00131577,-0.018 14239,0.14074579,-0.06076534,-0.09463904,-0.18805807,0.07675089,0.1307 7637,-0.01087453,-0.01775348,-0.00545828,-0.01528420,-0.03514883,-0.00 979252,-0.00896298,0.02306769,0.01661556,0.04296233,-0.02444187,-0.024 37861,-0.00904515,-0.00586508,-0.09649876,-0.03502281,0.00631665,-0.01 057480,-0.02340692,0.02909679,0.12598109,0.00069521,0.01504665,-0.0010 1928,-0.00051284,-0.08270638,-0.04309677,0.00305374,-0.00932409,-0.016 72239,0.01559724,0.07490601,0.08811356,0.00057923,-0.01902301,0.006460 57,-0.03925292,0.05802268,-0.01940873,-0.02654144,0.01710963,-0.007553 26,-0.00784062,-0.00510649,-0.01883335,0.07305575,-0.00193835,-0.02143 343,0.02763424,0.02878030,-0.07619913,0.02779725,0.02342302,-0.0084622 2,0.00610560,0.00073784,0.00547108,0.00207781,-0.05100282,0.10062371,- 0.00061010,0.00978304,-0.01547680,-0.02869713,0.07544420,-0.03897571,0 .00693447,-0.01418121,-0.00127255,-0.01696200,-0.00743114,-0.02727512, 0.03933477,-0.06361490,0.08300018\\-0.00018405,-0.00018031,0.00011405, 0.00012919,-0.00011176,-0.00001750,0.00019120,-0.00011176,-0.00009380, 0.00004072,0.00019906,0.00015098,-0.00017706,0.00020476,-0.00015372\\\ @ formaldehyde \\1,2\O,0,-0.0161104478,1.1884907858,0.\C,0,0.000 7016763,0.0009592444,0.\H,0,-0.9582829167,-0.5752251347,0.\H,0,0.97535 16882,-0.5481848955,0.\\Version=EM64L-G09RevA.02\State=2-A'\BDRef/AVTZ +2d1f=-113.552154\BDRef/AVQZ+2d1f=-113.5598868\BDRefExt=-113.5622928\B D/AVTZ+2d1f=-113.9254656\BD/AVQZ+2d1f=-113.9524092\BDExt=-0.4051176\BD (T)/AVDZ+2d=-113.8481123\BD(T)/AVTZ+2d1f=0.\TExt=-0.0178176\BD(T)/MTsm all=-113.9504868\DK-BD(T,FU)/MTsmall=-114.1225149\Core+Rel=-0.1720282\ W1BD=-114.1337629\FreqCoord=-0.0304443343,2.2459220966,0.,0.0013259761 ,0.0018127093,0.,-1.8108922704,-1.0870179694,0.,1.8431475739,-1.035919 3227,0.\PG=CS [SG(C1H2O1)]\NImag=0\\0.03472165,-0.01098094,0.81051694, 0.,0.,0.01403284,-0.03036620,0.00973445,0.,0.42621201,0.00969866,-0.71 489126,0.,-0.00590373,0.83320014,0.,0.,-0.04369533,0.,0.,0.13600862,-0 .00158326,-0.01938314,0.,-0.19548810,-0.07633230,0.,0.21355237,-0.0218 3445,-0.04841677,0.,-0.09853000,-0.06153025,0.,0.10834274,0.10494258,0 .,0.,0.01483281,0.,0.,-0.04616078,0.,0.,0.01565474,-0.00277220,0.02062 963,0.,-0.20035771,0.07253736,0.,-0.01648100,0.01202172,0.,0.21961091, 0.02311673,-0.04720891,0.,0.09469928,-0.05677862,0.,-0.01262730,0.0050 0444,0.,-0.10518871,0.09898309,0.,0.,0.01482969,0.,0.,-0.04615251,0.,0 .,0.01567323,0.,0.,0.01564960\\-0.00001216,-0.00006868,0.,0.00003704,0 .00009772,0.,0.00003381,-0.00001317,0.,-0.00005869,-0.00001587,0.\\\@ formic acid \\1,2\O,0,1.9209528413,0.9190205198,1.8396430983\ C,0,0.9915607816,0.3785971424,1.1617533542\O,0,1.0936567423,-0.0382389 24,-0.0137063421\H,0,2.7876890168,1.0095491739,1.3871191835\H,0,0.0002 305405,0.2566723433,1.6304906088\\Version=EM64L-G09RevA.02\State=2-A\B DRef/AVTZ+2d1f=-188.4793198\BDRef/AVQZ+2d1f=-188.4922779\BDRefExt=-188 .4963097\BD/AVTZ+2d1f=-189.0764804\BD/AVQZ+2d1f=-189.1228173\BDExt=-0. 6524237\BD(T)/AVDZ+2d=-188.9446537\BD(T)/AVTZ+2d1f=0.\TExt=-0.0283693\ BD(T)/MTsmall=-189.1147078\DK-BD(T,FU)/MTsmall=-189.3939575\Core+Rel=- 0.2792497\W1BD=-189.4248153\FreqCoord=3.6300747843,1.736697093,3.47642 1638,1.8737783213,0.7154449138,2.1953956734,2.0667117263,-0.0722610939 ,-0.0259012329,5.2679687855,1.9077714564,2.6212753705,0.0004356583,0.4 850404348,3.0811807128\PG=C01 [X(C1H2O2)]\NImag=0\\0.69400001,0.195767 61,0.15058145,-0.00173025,0.11683079,0.35455883,-0.32280014,-0.1347656 7,-0.14518558,0.60603231,-0.12450779,-0.12935071,-0.08012867,0.1377138 8,0.28212803,-0.11826357,-0.07196505,-0.15567672,0.01536795,0.18093691 ,0.63401199,-0.00095318,-0.01718481,-0.02327349,-0.02851809,0.01969071 ,0.02870336,0.03900217,-0.02942077,0.00036828,-0.04501412,0.02897303,- 0.09426973,-0.11990769,-0.00460315,0.08423919,-0.05538881,-0.05475965, -0.07314491,0.05306176,-0.11251430,-0.39499168,-0.02657263,0.17016134, 0.48858572,-0.34665790,-0.03875992,0.15772837,-0.02623316,-0.00754137, 0.00392484,-0.00121774,0.00349560,0.00540810,0.37489955,-0.02182791,-0 .02593137,0.00395039,-0.02175943,-0.00194635,0.00288568,0.00074742,-0. 00403940,0.00441505,0.04588966,0.02632152,0.20214508,0.01742783,-0.136 01781,-0.03336277,-0.00843114,0.00799623,-0.00180532,0.00222762,0.0013 3398,-0.16580872,-0.00789856,0.12668570,-0.02358879,-0.00505721,0.0124 6095,-0.22848092,-0.02535543,0.07026742,-0.00831316,0.00155530,0.02349 157,-0.00079076,-0.00304974,-0.00116827,0.26117363,-0.02001114,0.00433 236,0.00436160,-0.01016181,-0.05656124,0.00805016,0.00134983,0.0137016 7,-0.00730246,-0.00308396,0.00559560,-0.00332576,0.03190709,0.03293162 ,-0.02676245,-0.00753393,0.01028061,0.11011865,0.02013719,-0.09133982, 0.02294807,-0.00746715,-0.02178312,-0.00125259,-0.00335257,0.00000190, -0.10505168,-0.00178355,0.10284044\\0.00005128,0.00001644,-0.00003828, -0.00016131,0.00004969,0.00039036,0.00008216,-0.00009402,-0.00035461,- 0.00001781,-0.00000180,0.00000735,0.00004568,0.00002969,-0.00000483\\\ @ chloromethane \\1,2\H,0,-0.0015867509,1.2338748838,1.638671064 8\C,0,0.6389496393,0.943032518,0.8060114565\H,0,0.5560283247,1.7395517 2,0.0216696813\H,0,0.4586168681,-0.0187662296,0.3271485833\Cl,0,2.3117 82077,1.0596966584,1.284098765\\Version=EM64L-G09RevA.02\State=2-A\BDR ef/AVTZ+2d1f=-498.7659471\BDRef/AVQZ+2d1f=-498.7717013\BDRefExt=-498.7 734916\BD/AVTZ+2d1f=-499.1483207\BD/AVQZ+2d1f=-499.1728839\BDExt=-0.41 35144\BD(T)/AVDZ+2d=-499.0658702\BD(T)/AVTZ+2d1f=0.\TExt=-0.0181553\BD (T)/MTsmall=-499.1653695\DK-BD(T,FU)/MTsmall=-500.9584329\Core+Rel=-1. 7930634\W1BD=-500.9658069\FreqCoord=-0.0029985246,2.3316856127,3.09663 95344,1.207439831,1.7820731934,1.5231409128,1.0507412559,3.2872763448, 0.0409497631,0.8666602806,-0.0354630345,0.6182212272,4.3686350045,2.00 25364682,2.4265949934\PG=C01 [X(C1H3Cl1)]\NImag=0\\0.14456266,-0.03675 685,0.04726708,-0.12816506,0.05779806,0.21840393,-0.12118890,0.0154986 3,0.12491247,0.29168339,0.02211074,-0.03359624,-0.05355496,0.04947325, 0.40534297,0.11438377,-0.03147661,-0.19079086,-0.07552170,0.00463747,0 .34799526,0.00152382,-0.00357789,0.01568087,-0.01441451,0.00665290,-0. 02608865,0.03327696,0.00608332,-0.00846882,-0.00798844,-0.01113835,-0. 10603721,0.13143630,-0.01115630,0.14352853,0.00271895,0.00366401,-0.02 214800,-0.00940088,0.13791933,-0.09405227,0.01894727,-0.12973098,0.139 65986,0.00693034,0.01711977,0.00386132,-0.04619849,-0.04329075,-0.0111 1254,0.00323813,0.00569908,0.00239866,0.05724547,0.00242940,-0.0049781 5,0.00017603,-0.04538234,-0.24990750,-0.10174231,-0.00230561,-0.023556 90,-0.01261416,0.04088595,0.27567466,-0.00016895,-0.02976385,-0.010025 68,-0.01410356,-0.07724642,-0.05157099,0.00634312,0.00551107,-0.008554 39,0.02146242,0.11096533,0.07896414,-0.03182793,0.00771634,-0.01628960 ,-0.10988149,-0.03494614,-0.00166089,-0.02362440,0.01051225,-0.0146640 0,-0.02121544,0.00437260,-0.01353303,0.18654926,0.00613339,-0.00022387 ,0.00356930,-0.00845119,-0.01580203,-0.00285485,0.01038689,-0.00546560 ,0.00076181,-0.02041405,0.00276789,-0.00946613,0.01234496,0.01872360,0 .01123129,-0.00022161,0.00456061,-0.02588633,-0.01175542,-0.01158114,- 0.01488262,0.00077205,-0.01490520,-0.01660986,0.00321511,-0.00881309,0 .04614751,0.00798987,0.03073882\\0.00008245,0.00003106,-0.00005589,-0. 00045764,-0.00034734,0.00011558,0.00008196,0.00017767,-0.00011234,0.00 004979,0.00007402,0.00001321,0.00024344,0.00006458,0.00003945\\\@ methanethiol \\1,2\C,0,0.7957952744,0.9648755667,0.8782065887\ H,0,-0.0254229842,0.2785300398,0.6911296887\H,0,0.9936046,1.6061365355 ,0.0112431667\H,0,0.595770006,1.610564954,1.7413670635\S,0,2.251243261 4,-0.003356787,1.2153625561\H,0,3.127320002,1.0139396892,1.4141902418\ \Version=EM64L-G09RevA.02\State=2-A\BDRef/AVTZ+2d1f=-437.4516835\BDRef /AVQZ+2d1f=-437.4573109\BDRefExt=-437.4590618\BD/AVTZ+2d1f=-437.820531 6\BD/AVQZ+2d1f=-437.8418536\BDExt=-0.3948326\BD(T)/AVDZ+2d=-437.748665 3\BD(T)/AVTZ+2d1f=0.\TExt=-0.0167774\BD(T)/MTsmall=-437.8370433\DK-BD( T,FU)/MTsmall=-439.2926893\Core+Rel=-1.455646\W1BD=-439.2824937\FreqCo ord=1.5038351265,1.8233505734,1.6595699407,-0.0480424776,0.5263454951, 1.3060458339,1.8776405784,3.0351581841,0.0212465059,1.1258421495,3.043 5266824,3.2907068468,4.2542332226,-0.0063434081,2.2967023832,5.9097783 338,1.9160683278,2.6724322567\PG=C01 [X(C1H4S1)]\NImag=0\\0.40798437,0 .12610829,0.47203342,-0.01262308,0.02896917,0.45850008,-0.20324877,-0. 13849518,-0.03607371,0.22025715,-0.13970473,-0.16296681,-0.03182156,0. 14237092,0.17160614,-0.03607064,-0.03154344,-0.05304058,0.04031401,0.0 3240894,0.05253817,-0.04714503,-0.03194118,0.02852058,-0.00074534,-0.0 1170955,0.01873076,0.05185264,-0.03971787,-0.12155785,0.12505548,-0.00 129378,-0.00915207,0.01351220,0.03028407,0.13638818,0.03877596,0.12143 470,-0.19671507,0.00001533,-0.00529906,0.00541066,-0.04040838,-0.13277 842,0.21680542,-0.04919023,0.02443656,0.04282481,0.00778573,-0.0129524 9,-0.01752446,0.00181574,0.00200425,0.00432545,0.05150010,0.01897255,- 0.12283777,-0.13024029,0.00472471,-0.00920638,-0.01267106,-0.00474118, 0.00852145,0.01428742,-0.03085196,0.13774878,0.03260289,-0.12357453,-0 .19338782,0.00111910,-0.00031965,-0.00306633,0.00659909,-0.01507260,-0 .02066647,-0.03952629,0.13309999,0.21579580,-0.09055779,0.03838778,-0. 02116684,-0.02149950,0.01667786,-0.00395756,-0.00780111,0.00878041,-0. 00180188,-0.01342219,0.01220610,-0.00122571,0.23453130,0.02174233,-0.0 7826921,0.00520384,-0.01063422,0.01282987,-0.00248973,0.01846010,-0.01 534532,0.00248012,0.01773469,-0.01537474,0.00589982,0.04479603,0.26381 994,-0.02112368,0.00903055,-0.00381654,-0.00388757,0.00379060,-0.00537 755,-0.01281820,0.00988005,-0.00732873,0.00975144,-0.00499660,-0.00167 845,0.05111430,0.00965196,0.02346400,-0.01784256,-0.01849627,-0.001481 77,-0.00254928,0.00531798,-0.00149212,0.00202308,-0.00005708,-0.000906 49,0.00151084,-0.00031023,0.00043092,-0.10125071,-0.09209893,-0.023036 30,0.11810862,0.01259942,0.01359823,0.00283337,0.00332755,-0.00311074, 0.00078309,-0.00035226,0.00114561,-0.00012476,-0.00037106,0.00114867,- 0.00003303,-0.12084819,-0.16766054,-0.02735656,0.10564453,0.15487877,- 0.00156146,-0.00431645,-0.01154007,-0.00148717,0.00124073,0.00353564,- 0.00062385,-0.00059671,0.00249419,0.00014904,0.00052054,0.00300327,-0. 02296232,-0.02074600,-0.00526273,0.02648576,0.02389788,0.00776971\\-0. 00020894,0.00021137,-0.00004869,0.00007979,-0.00004660,0.00001849,0.00 003760,-0.00002824,0.00001844,0.00004183,-0.00002833,0.00000002,0.0000 2691,-0.00013512,0.00000659,0.00002281,0.00002692,0.00000515\\\@ methylamine \\1,2\C,0,0.5846851513,1.0878414961,0.855562038\N ,0,1.9331505668,1.485131086,0.9892155088\H,0,0.1289348857,1.5459866424 ,-0.0219046311\H,0,0.5738228876,-0.0124974995,0.6804164054\H,0,0.03456 36336,1.2600120662,1.7803780417\H,0,2.4054910806,1.4750400793,1.892789 0175\H,0,2.4951617693,1.7469860534,0.1797540986\\Version=EM64L-G09RevA .02\State=2-A\BDRef/AVTZ+2d1f=-94.967035\BDRef/AVQZ+2d1f=-94.9729804\B DRefExt=-94.9748302\BD/AVTZ+2d1f=-95.3580226\BD/AVQZ+2d1f=-95.3817155\ BDExt=-0.420371\BD(T)/AVDZ+2d=-95.2824154\BD(T)/AVTZ+2d1f=0.\TExt=-0.0 15073\BD(T)/MTsmall=-95.3782949\DK-BD(T,FU)/MTsmall=-95.5250882\Core+R el=-0.1467933\W1BD=-95.4968805\FreqCoord=1.1048948099,2.0557225036,1.6 167779416,3.6531251449,2.806491024,1.8693463981,0.2436516229,2.9214913 592,-0.0413937538,1.0843681064,-0.0236168514,1.2858006626,0.0653158017 ,2.3810777292,3.3644269118,4.5457193574,2.787421785,3.5768528704,4.715 1724012,3.301325199,0.3396860176\PG=C01 [X(C1H5N1)]\NImag=0\\0.4776863 2,-0.05076103,0.41200536,-0.01473758,-0.03338752,0.59952305,-0.2364817 4,-0.02690602,-0.01061933,0.61902011,-0.05354607,-0.05987807,0.0059992 8,0.15011578,0.15390998,-0.01484238,0.00739540,-0.11493628,0.01539796, -0.09155059,0.76637037,-0.09292833,0.04640629,-0.07494400,-0.02270112, 0.01152735,-0.03247191,0.10609915,0.05723672,-0.08624347,0.10106922,-0 .01361437,0.00254500,-0.01517183,-0.04751465,0.09715704,-0.07901657,0. 09685456,-0.22529911,-0.00639532,-0.00268447,-0.00048567,0.09658559,-0 .10313257,0.23608695,-0.02727674,0.00217806,0.00007128,-0.01646090,-0. 03483871,-0.00620710,0.00181862,0.01171627,0.00033283,0.04343087,0.018 81091,-0.23938667,-0.03348920,-0.02051682,-0.01383949,-0.00271984,0.00 030677,-0.01551239,-0.00199609,0.00469413,0.27926856,0.00270865,-0.034 36127,-0.02739825,-0.00393377,-0.00346923,-0.00422579,-0.00058202,0.02 322705,0.00030728,0.00136106,0.03952851,0.03801530,-0.11188986,0.02564 268,0.10113852,-0.02634052,0.00106459,0.03145634,0.01018194,-0.0047623 3,-0.01027706,0.00154470,0.00002357,0.00115176,0.12888526,0.03505776,- 0.04220767,-0.03936955,-0.01593304,-0.00276798,0.01224050,-0.00890873, 0.00208998,0.01009144,0.01366558,-0.00795205,-0.02459225,-0.02070926,0 .05033596,0.10841991,-0.03621544,-0.25035530,-0.00130340,0.00196035,0. 00846445,0.01057462,-0.00590116,-0.01303018,0.00421132,-0.00068103,-0. 00698190,-0.12165828,0.04249247,0.26010992,-0.00366783,0.00492978,-0.0 2210839,-0.14295316,-0.01164755,-0.14448056,-0.00396950,-0.00354984,-0 .00130703,-0.00145311,-0.00135147,-0.00188093,0.00143851,0.00056218,0. 00003953,0.13558068,-0.00314946,0.01017708,-0.01942151,-0.01117187,-0. 02872982,0.01313671,-0.00129153,0.00026141,0.00436265,0.00109308,-0.00 164532,0.00333710,-0.00103449,-0.00105433,0.00258207,0.01149138,0.0136 2402,0.00360292,0.00473279,0.00602000,-0.14469930,0.00999987,-0.354413 11,0.00156392,-0.00041855,0.00095484,0.00020036,-0.00161809,0.00042469 ,0.00042846,-0.00110498,0.00228481,0.15255729,-0.01114740,0.35726243,- 0.00544181,-0.00148975,0.02119950,-0.17408267,-0.06267539,0.15114764,0 .00149925,0.00048820,0.00007757,-0.00160343,-0.00196708,0.00117526,-0. 00382002,-0.00373450,-0.00028369,0.01502442,0.00406289,-0.01365365,0.1 6842427,-0.00364882,0.00553344,0.01859928,-0.06197367,-0.05123962,0.07 666966,-0.00052550,-0.00029756,-0.00349553,0.00149159,-0.00093264,-0.0 0366990,-0.00022475,0.00155609,-0.00423725,-0.00043448,0.00736697,-0.0 0044364,0.06531563,0.03801332,-0.00613496,-0.00501852,0.01244590,0.151 55317,0.07974479,-0.30077396,-0.00072620,0.00032784,0.00146589,0.00003 025,0.00097575,-0.00014132,-0.00223973,0.00024238,-0.00049179,0.017180 10,0.00715038,-0.01253367,-0.15966263,-0.08342262,0.30002895\\-0.00015 897,-0.00025839,-0.00004938,0.00053867,0.00030741,0.00007702,0.0000333 2,0.00004317,0.00001333,0.00000689,0.00008064,0.00001318,0.00003379,0. 00004461,0.00000414,-0.00022865,-0.00011411,0.00000477,-0.00022506,-0. 00010332,-0.00006307\\\@ carbon monoxide \\1,2\C,0,0.1197533336,0.0267274898,0.\O,0,-0.77590 33336,-0.6288874898,0.\\Version=EM64L-G09RevA.02\State=2-SG\BDRef/AVTZ +2d1f=-112.2893641\BDRef/AVQZ+2d1f=-112.2974268\BDRefExt=-112.2999354\ BD/AVTZ+2d1f=-112.6299078\BD/AVQZ+2d1f=-112.6555929\BDExt=-0.3697199\B D(T)/AVDZ+2d=-112.5653109\BD(T)/AVTZ+2d1f=0.\TExt=-0.0206721\BD(T)/MTs mall=-112.6584844\DK-BD(T,FU)/MTsmall=-112.829947\Core+Rel=-0.1714626\ W1BD=-112.8566484\FreqCoord=0.2263010039,0.050507636,0.,-1.466244806,- 1.1884251242,0.\PG=C*V [C*(C1O1)]\NImag=0\\0.88694517,0.64926933,0.475 21851,0.,0.,-0.00004251,-0.88694517,-0.64926933,0.,0.88694517,-0.64926 933,-0.47521851,0.,0.64926933,0.47521851,0.,0.,0.00004251,0.,0.,-0.000 04251\\-0.00007461,-0.00005461,0.,0.00007461,0.00005461,0.\\\@ carbon dioxide \\1,2\C,0,0.3120506541,0.2991966558,0.\O,0,1.382076 5345,0.7771267994,0.\O,0,-0.7579768501,-0.1787342131,0.\\Version=EM64L -G09RevA.02\BDRef/AVTZ+2d1f=-187.2268563\BDRef/AVQZ+2d1f=-187.2396241\ BDRefExt=-187.2435967\BD/AVTZ+2d1f=-187.8039001\BD/AVQZ+2d1f=-187.8479 419\BDExt=-0.628822\BD(T)/AVDZ+2d=-187.6859715\BD(T)/AVTZ+2d1f=0.\TExt =-0.033294\BD(T)/MTsmall=-187.8481213\DK-BD(T,FU)/MTsmall=-188.1275173 \Core+Rel=-0.279396\W1BD=-188.1764801\FreqCoord=0.5896902759,0.5653997 394,0.,2.6117461448,1.4685568215,0.,-1.4323686617,-0.3377587134,0.\PG= C*V [C*(O1C1O1)]\NImag=0\\0.60976486,0.23546806,0.18775379,0.00527194, -0.01180322,0.10574951,-0.30488711,-0.11773622,-0.00263597,0.58575742, -0.11773622,-0.09387764,0.00590162,0.25240765,0.13338682,-0.00263597,0 .00590162,-0.05287453,0.00131924,-0.00295360,0.02644576,-0.30487775,-0 .11773183,-0.00263597,-0.28087031,-0.13467143,0.00131674,0.58574806,-0 .11773183,-0.09387615,0.00590161,-0.13467143,-0.03950919,-0.00294801,0 .25240326,0.13338534,-0.00263597,0.00590161,-0.05287499,0.00131674,-0. 00294801,0.02642877,0.00131923,-0.00295359,0.02644622\\0.00000110,0.00 000049,0.,-0.00000444,-0.00000198,0.,0.00000334,0.00000149,0.\\\@ acetylene \\1,2\C,0,1.0367241054,0.1004209729,0.0153327785\H, 0,-0.0409590402,0.1479217293,0.022592888\C,0,2.2786306404,0.0456817853 ,0.006966333\H,0,3.3563140842,-0.0018189843,-0.0002937785\\Version=EM6 4L-G09RevA.02\BDRef/AVTZ+2d1f=-76.4875315\BDRef/AVQZ+2d1f=-76.491947\B DRefExt=-76.4933209\BD/AVTZ+2d1f=-76.7630415\BD/AVQZ+2d1f=-76.7796714\ BDExt=-0.2957326\BD(T)/AVDZ+2d=-76.7090706\BD(T)/AVTZ+2d1f=0.\TExt=-0. 0133325\BD(T)/MTsmall=-76.7811602\DK-BD(T,FU)/MTsmall=-76.9103809\Core +Rel=-0.1292206\W1BD=-76.9059918\FreqCoord=1.9591246346,0.1897681367,0 .0289747523,-0.0774013686,0.2795315575,0.0426943709,4.3059878684,0.086 3260635,0.0131644614,6.342514435,-0.0034373821,-0.0005551609\PG=C*V [C *(H1C1C1H1)]\NImag=0\\1.32548700,-0.05638235,0.04866121,-0.00845838,0. 00118898,0.06469697,-0.38313812,0.01585949,0.00237115,0.37247350,0.015 85949,-0.02398031,-0.00037542,-0.01575963,0.01560735,0.00237115,-0.000 37542,-0.02942599,-0.00239474,0.00017729,0.01655186,-0.95385309,0.0408 9080,0.00607376,0.01150421,-0.00036794,0.00001347,1.32548625,0.0408908 0,-0.02779908,-0.00117032,-0.00036794,0.00311821,0.00035676,-0.0563823 2,0.04866120,0.00607376,-0.00117032,-0.04645727,0.00001347,0.00035676, 0.01118632,-0.00845837,0.00118898,0.06469697,0.01150420,-0.00036794,0. 00001347,-0.00083960,0.00026807,0.00001011,-0.38313737,0.01585946,0.00 237114,0.37247276,-0.00036794,0.00311818,0.00035676,0.00026807,0.00525 475,-0.00015864,0.01585946,-0.02398032,-0.00037542,-0.01575959,0.01560 740,0.00001347,0.00035676,0.01118629,0.00001011,-0.00015864,0.00168781 ,0.00237114,-0.00037542,-0.02942602,-0.00239473,0.00017729,0.01655192\ \0.00000584,-0.00000026,-0.00000004,-0.00002323,0.00000102,0.00000016, -0.00000594,0.00000026,0.00000004,0.00002333,-0.00000103,-0.00000016\\ \@ chloroethene \\1,2\C,0,1.8221731476,0.9103469117,0.7516213838 \C,0,0.7172677062,0.8202097379,1.5936550811\Cl,0,0.4287561559,1.951282 3664,2.7588298301\H,0,2.5285602612,1.7275994902,0.8352156417\H,0,1.980 8242101,0.1488893052,-0.0033031068\H,0,-0.00007141,0.0099721186,1.5248 812557\\Version=EM64L-G09RevA.02\State=2-A\BDRef/AVTZ+2d1f=-536.677879 2\BDRef/AVQZ+2d1f=-536.6861248\BDRefExt=-536.6886903\BD/AVTZ+2d1f=-537 .1991914\BD/AVQZ+2d1f=-537.2331288\BDExt=-0.5638485\BD(T)/AVDZ+2d=-537 .0960393\BD(T)/AVTZ+2d1f=0.\TExt=-0.0275829\BD(T)/MTsmall=-537.2272937 \DK-BD(T,FU)/MTsmall=-539.0848364\Core+Rel=-1.8575427\W1BD=-539.096546 \FreqCoord=3.4434082156,1.7203063489,1.420358571,1.3554395286,1.549971 7762,3.0115716536,0.8102317027,3.68738929,5.2134328144,4.7782864042,3. 2646899038,1.5783288248,3.7432152745,0.2813600109,-0.0062419673,-0.000 1349454,0.0188445731,2.8816079584\PG=C01 [X(C2H3Cl1)]\NImag=0\\0.51300 998,0.16525852,0.51398137,-0.18911132,0.18425371,0.42922530,-0.2759720 7,-0.04260514,0.14189991,0.51463041,-0.05272097,-0.09802771,0.01477039 ,0.18922020,0.44395864,0.13361784,0.00638561,-0.16821836,-0.17950152,0 .11562238,0.35461587,0.00124055,0.02131620,0.02357331,-0.04808476,0.01 680638,0.03173013,0.03838131,0.01224775,-0.00426098,-0.02070236,0.0081 1142,-0.14959726,-0.10758411,-0.02962805,0.16261803,0.01614876,-0.0282 1899,-0.02786330,0.02461137,-0.11479116,-0.14078625,-0.04910849,0.1508 2024,0.17258413,-0.17209789,-0.14403369,-0.00910584,-0.01131775,-0.019 80269,0.00087605,0.00083816,0.00019210,-0.00191159,0.17280986,-0.14906 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9\H,0,2.5595479885,0.2687893545,1.6168294744\\Version=EM64L-G09RevA.02 \State=2-A\BDRef/AVTZ+2d1f=-152.6377277\BDRef/AVQZ+2d1f=-152.6476879\B DRefExt=-152.6507869\BD/AVTZ+2d1f=-153.1963814\BD/AVQZ+2d1f=-153.23313 49\BDExt=-0.6030136\BD(T)/AVDZ+2d=-153.0883837\BD(T)/AVTZ+2d1f=0.\TExt =-0.0269272\BD(T)/MTsmall=-153.2317311\DK-BD(T,FU)/MTsmall=-153.468747 \Core+Rel=-0.2370159\W1BD=-153.4657621\FreqCoord=1.0761267045,1.604566 6105,1.3009475257,3.7683431384,2.0655485467,2.1194816688,4.8810963098, 4.0146066107,1.8405596664,0.054650095,1.0373457168,3.0099392073,0.2801 445621,3.2778830488,0.422463091,1.145246528,-0.0164022199,0.0151481559 ,4.8368447222,0.5079382673,3.0553649101\PG=C01 [X(C2H4O1)]\NImag=0\\0. 36764469,-0.06598491,0.56019521,-0.02674923,-0.04336951,0.51051345,-0. 07016672,0.02346607,-0.00841007,0.38469244,0.06423300,-0.00872247,0.00 188337,0.14719884,0.63919388,-0.02266402,-0.01293859,-0.07360289,0.025 47129,-0.11007447,0.22078582,-0.05816030,-0.04203258,-0.01527323,-0.15 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