CX1-1-12-3
FTS
RwB97XD
6-311G(d,p)
RZEPA
13-Nov-2012
0
#
freq
rwb97xd/6-311g(d,p)
calcfc
ts
noeigentest
grid=ultrafine
Title Card Required
EM64L-G09RevC.01
1-A
-629.560214
8.678e-09
7.186e-06
2.2199942 2.5099569 2.5146389
-8.953999,13.5177516,-4.5637526,-8.60152,-7.8542285,4.3555704
X(C11H9N1O2)
CX1-1-12-3
Freq
RwB97XD
6-311G(d,p)
RZEPA
13-Nov-2012
0
#N
AllCheck
TCheck
Check
GenChk
RwB97XD/6-311G(d,p)
Freq
Title Card Required
EM64L-G09RevC.01
1-A
-629.560214
2.056e-09
7.185e-06
0.1719359
0.1845831
2.2199964 2.5099569 2.5146393
0.9810261,-1.1754197,-0.2313812,-1.2240093,1.3227615,-0.0343654,-0.2575181,-0.0094887,0.0663801,-1.2681368,0.2649787,-0.3161544,0.0942209,-0.7461732,-0.1440504,-0.4086323,-0.0549453,-0.631203,-0.4764179,1.0358426,0.3927839,0.598034,-0.4999146,0.1255629,0.1557627,0.3544152,0.1176976,-1.3347463,0.5385673,-0.3863812,0.5926519,-0.8758432,-0.1455582,-0.3571565,-0.1737203,-0.3151965,1.4067576,-0.8781955,0.2613172,-0.8550581,0.6464751,-0.0931483,0.2737582,-0.1052565,0.08049,1.598385,-0.1185916,0.6406044,0.0432278,1.4837542,0.6890502,0.7283082,0.604552,0.9552978,-0.8037265,0.2080614,-0.1080492,0.1244218,-1.2601388,-0.4095211,-0.1533236,-0.3657532,-0.6587389,-0.0894102,0.096186,-0.0335529,0.1224877,0.0326076,0.0412695,-0.0193252,0.0272724,0.0790667,0.0811231,-0.1628542,-0.1086654,-0.0279246,0.0064107,0.0050431,-0.0392022,0.0116835,0.0392243,0.0293301,-0.1085005,-0.0320989,-0.0273652,0.1189317,-0.0196139,0.0153034,-0.1388471,-0.0214692,0.140251,-0.039333,-0.0343307,0.0006623,0.1418498,-0.0123543,-0.0127335,-0.0331683,0.1408047,0.0460517,-0.0369519,-0.0497076,-0.0118667,-0.0465476,-0.0871624,-0.0361969,-0.10017,0.0299661,-0.6034392,0.4273422,-0.0513863,0.5674116,-0.4502173,0.0856235,0.0245313,0.0125534,-0.0420599,0.226895,-0.3042527,0.0097485,0.0511549,0.0486913,0.1110579,0.2019766,-0.0742316,-0.0423064,-0.0495479,0.0550274,0.023155,-0.3069782,0.069891,-0.1021208,-0.1725636,0.0865551,-0.0801852,-0.0075365,0.1322767,0.14406,0.2220295,-0.3357874,0.0136091,0.1924986,-0.0331696,-0.0645634,0.0918953,0.0311926,-0.0008543,-0.0013422,-0.056474,-0.0992975,-0.0184356,-0.0823409,0.0718304,-0.3249039,0.0293007,-0.0840467,0.0150415,0.1346738,0.1525368,-0.0916852,0.1599722,-0.0945145,0.3126115,-0.0854172,0.0560631,-0.0342715,0.1275652,-0.0119044,0.0836779,-0.0385566,0.1392759,0.0270482,-0.0176251,0.0538973,-0.0525991,0.0860433,0.0703958,0.0350273,0.0885915,-0.0287477,-0.0403394,-0.0029759,-0.0953418,-0.0218478,0.0745145,-0.0465767,-0.1055454,-0.0367429,0.0648281,0.0777448,0.0091716,-0.0255324,0.0330941,-0.0422034,-0.0792144,-0.0125867,-0.0916832,0.0802066,-0.0209147,0.10217,-0.0241462,0.0988247,0.0191297,-0.009261,-0.0259393,-0.0075213,0.1139163
187.382759,-60.1741662,165.4912333,34.6996972,26.5179579,90.8201206
X(C11H9N1O2)
1