CX1-1-12-1
FTS
RwB97XD
6-311G(d,p)
RZEPA
29-Nov-2012
0
#
wB97XD/6-311G(d,p)
calcfc
ts
noeigentest
freq
wfn
Title Card Required
EM64L-G09RevC.01
1-A
-464.3160615
2.940e-09
8.498e-06
0.0 0.0 0.271194
-1.5017081,-0.8038892,2.3055973,-0.7596101,0.,0.
X(C12H12)
CX1-1-12-1
Freq
RwB97XD
6-311G(d,p)
RZEPA
29-Nov-2012
0
#N
AllCheck
TCheck
Check
GenChk
RwB97XD/6-311G(d,p)Freq
Title Card Required
EM64L-G09RevC.01
1-A
-464.3160615
1.010e-09
8.499e-06
0.202074
0.2116722
0.0 0.0 0.2711937
0.0326119,-0.0128251,0.3257292,-0.0319449,0.0543631,-0.0747113,0.0317935,-0.0102958,0.0620644,0.0326119,-0.0128251,-0.3257292,-0.0319449,0.0543631,0.0747113,-0.0317935,0.0102958,0.0620643,-0.0895903,0.0964198,-0.0324502,0.0708132,-0.0998707,-0.0745548,0.0090084,-0.00698,0.2310996,-0.0260266,0.1096227,0.0993691,0.1092997,0.0000646,0.0364721,0.1511085,0.1177233,0.025905,-0.0260266,0.1096227,-0.0993691,0.1092997,0.0000646,-0.0364721,-0.1511085,-0.1177233,0.025905,-0.0895903,0.0964197,0.0324502,0.0708132,-0.0998707,0.0745548,-0.0090084,0.00698,0.2310996,-0.0331767,-0.242814,0.2926882,-0.0601808,-0.1005356,0.0193346,0.0379621,-0.1158978,-0.1313689,-0.0413403,-0.0245282,-0.1330345,-0.1180625,0.0063159,-0.017842,-0.111605,0.003362,0.0712835,-0.1261571,-0.0529961,-0.0751384,-0.0866832,-0.0226594,0.068528,-0.0358817,0.0644292,0.0421995,-0.1261572,-0.0529962,0.0751384,-0.0866831,-0.0226595,-0.068528,0.0358817,-0.0644292,0.0421994,-0.0413403,-0.0245282,0.1330345,-0.1180625,0.0063159,0.017842,0.111605,-0.003362,0.0712835,-0.0331768,-0.242814,-0.2926882,-0.0601808,-0.1005356,-0.0193346,-0.0379621,0.1158978,-0.1313689,0.0386264,0.0414868,-0.0329941,0.0487186,0.0235739,0.0049572,0.0490356,0.0052562,-0.0378147,0.0386264,0.0414868,0.032994,0.0487186,0.0235739,-0.0049572,-0.0490356,-0.0052562,-0.0378147,0.0056135,-0.1114275,-0.0601722,-0.1064517,0.0190924,-0.0302637,-0.0588957,-0.0361794,-0.0496083,0.0677306,-0.0555775,-0.0595746,-0.0544431,0.0712555,-0.0375999,-0.0662048,-0.0437778,-0.1222889,0.0677306,-0.0555775,0.0595746,-0.0544431,0.0712555,0.0375999,0.0662048,0.0437778,-0.1222889,0.0056135,-0.1114275,0.0601721,-0.1064517,0.0190924,0.0302636,0.0588957,0.0361793,-0.0496083,0.0463431,0.0951859,-0.03185,0.0713418,0.0235694,0.0571048,-0.036607,0.097127,0.0225476,0.0353594,0.1156676,0.0606889,0.1055902,-0.0259541,-0.047183,0.0445237,-0.0512376,0.0170545,0.0900062,0.0417857,0.0401092,0.0520028,0.0507849,-0.0509737,0.0503878,-0.0521721,-0.1310732,0.0900062,0.0417857,-0.0401092,0.0520028,0.0507849,0.0509737,-0.0503878,0.0521722,-0.1310732,0.0353594,0.1156677,-0.0606889,0.1055902,-0.0259541,0.047183,-0.0445237,0.0512376,0.0170545,0.0463431,0.0951859,0.03185,0.0713418,0.0235694,-0.0571048,0.036607,-0.097127,0.0225476
92.2886376,-4.6821296,140.1869277,-0.0000002,0.,176.6753193
X(C12H12)
1