CX1-5-6-3
FSaddle
RwB97XD
6-311G(d,p)
RZEPA
19-Nov-2012
0
#
freq
rwb97xd/6-311g(d,p)
calcfc
2
noeigentest
Title Card Required
EM64L-G09RevC.01
1-A
-804.7286663
4.124e-09
5.137e-06
0.9275717 0.6726512 -0.0676051
-2.3709968,4.8139006,-2.4429038,1.0849748,0.7018377,1.1776266
CX1-5-6-3
Freq
RwB97XD
6-311G(d,p)
RZEPA
19-Nov-2012
0
#N
AllCheck
TCheck
Check
GenChk
RwB97XD/6-311G(d,p)Freq
Title Card Required
EM64L-G09RevC.01
1-A
-804.7286663
1.342e-09
5.134e-06
0.2683355
0.2859791
0.9275744 0.672652 -0.0676043
-0.5415549,-0.0150982,0.0001922,0.2578691,-0.444137,0.04473,-0.4971842,0.4160604,0.6868679,-0.414272,0.0649421,0.1214789,-0.3350907,0.4348067,0.0157468,0.7401649,-0.2435372,0.4631864,-1.6184628,0.0400944,0.0481118,-0.8924264,-0.0550293,0.0914116,-0.9285643,0.2589856,-0.1531747,-0.7874823,-0.9488923,-0.0174762,-0.884454,-0.5198665,-0.0476528,-0.3608982,-0.5518705,-0.3466184,0.7412738,0.3810202,0.0887203,0.1811363,0.2890405,0.0701668,0.4163191,0.5940847,-0.0945716,0.6632225,-0.1162512,-0.0047157,1.0560363,-0.4514932,-0.0706111,1.1264678,-0.2258715,-0.3294934,0.4422371,-0.0764285,0.0145065,-0.3179403,-0.280022,-0.0833757,-0.1045406,0.3812212,-0.4521933,-0.8860193,0.1150044,-0.005485,-0.0411844,0.249001,-0.130564,-0.1037071,-0.1414834,-0.4879689,1.4427029,0.5861723,-0.0101641,1.0553816,0.261193,-0.0884996,-0.4006065,-0.2179673,0.6211774,-0.0712831,-0.102465,-0.0430942,-0.1336223,0.096109,0.02078,0.0452726,0.0634953,-0.2043962,0.0654558,0.0247296,0.0139238,-0.0679929,-0.0861384,0.0248607,0.0387194,-0.0306381,0.0671702,-0.0614307,0.0181891,0.0434,0.0877255,0.0487998,-0.0111283,0.0320868,0.0368525,0.0736443,0.0492998,0.0069053,-0.0725755,0.0353478,0.0519087,-0.0435877,-0.0820173,-0.0230882,0.0291769,-0.034735,-0.1064256,-0.0602206,-0.1284038,0.0823502,-0.0118984,-0.0177093,-0.0069833,-0.0621607,-0.0529102,-0.0013077,0.0063019,0.0751584,0.0574823,-0.0196025,0.0399893,-0.0471545,0.0603085,0.0570439,0.0424425,-0.0061512,-0.0535799,-0.0662071,-0.0022981,-0.0477629,0.0346488,0.0711496,0.0755612,-0.0125048,0.061254,0.0007429,0.0551459,0.0532227,0.0360695,0.0300506,-0.0478831,0.3820836,0.1007464,-0.0069967,-0.2226405,0.3903494,0.0531422,0.3816301,-0.3719818,0.0165339,-0.0724864,0.0947395,0.0344465,0.0987926,-0.1133227,0.0134288,0.0235654,0.0632327,0.0624082,-0.0291688,-0.1034582,-0.0375766,0.1504055,-0.1138558,-0.0025297,-0.1206511,-0.0012302,0.0388278,0.0719275,-0.012201,0.0207959,-0.0144848,0.0674886,-0.0533154,-0.0205895,0.0124465,-0.0808339,0.2097096,0.0006158,-0.0032305,-0.0109262,0.1003278,0.0785589,-0.1224863,0.1218763,-0.208112,0.0432433,-0.124199,-0.0508005,-0.0144546,-0.0482707,-0.0456598,0.1085758,-0.0583346,0.0351206,-0.0715426,0.0452558,0.0628676,0.0217554,0.0770338,-0.0264622,0.0222219,-0.0417303,0.0499832,0.0475848,0.0272163,-0.0529994,0.0199529,-0.0357948,0.0591043,0.0385213,-0.0660655,0.039688,0.2247838,0.0962257,-0.1424825,0.1654486,-0.1405,0.0357668,-0.1681478,0.4091107,-0.011888,0.1007552,-0.0152933,-0.0750861,0.0376434,0.1336159,0.0667161,-0.173199,-0.1134507,0.0468401,0.0169246,0.0353011,-0.0695415,-0.0377431,0.0604539,-0.0506231,-0.0493623,0.0091737,-0.0245345,-0.0230388,-0.0696005,0.0356064,-0.0246624,-0.0826067,0.0275759,0.0134867,0.0603943,0.0775107,0.0443677,0.1158471,0.042714,-0.0485221,-0.0690035,-0.0010715,0.0771318,-0.0508699,-0.0273943,-0.020284,0.0362445,0.0960363,-0.0041965,0.0540189,-0.0324335,-0.0209994,-0.1335912,0.0228398,-0.0044633,0.0026736,-0.0200977,0.0443187,-0.0161159,0.0687643,0.011944,-0.0494668,0.0475972,0.010957,-0.1302401,-0.011662,-0.0553897,0.0132385,-0.0026623,0.0662592,-0.1163181,0.0211922
205.3998798,-20.4252452,207.7243824,-0.7085358,6.984672,115.6945319
X(C9H18O6)
2