CX1-1-11-4
FOpt
RwB97XD
6-311G(d,p)
RZEPA
17-Nov-2012
0
#
opt
rwb97xd/6-311g(d,p)
freq
grid=ultrafine
Title Card Required
EM64L-G09RevC.01
1-A
-645.7320997
9.050e-09
8.625e-06
-0.1789204 1.3028001 -0.2484148
3.6974764,-1.9411764,-1.7563,7.2950162,-1.0914024,0.3993783
X(C10H8N2O2)
CX1-1-11-4
Freq
RwB97XD
6-311G(d,p)
RZEPA
17-Nov-2012
0
#N
AllCheck
TCheck
Check
GenChk
RwB97XD/6-311G(d,p)
Freq
Title Card Required
EM64L-G09RevC.01
1-A
-645.7320997
3.406e-09
8.650e-06
0.1658373
0.1774423
-0.1789201 1.3028013 -0.2484149
-0.054418,0.065109,-0.0160839,0.5026981,0.27032,-0.0202161,-0.0966612,-0.0408587,0.0347988,0.9539483,-0.2715683,0.0800928,-0.613434,0.600842,-0.0812603,0.1430005,-0.0651027,0.3353494,-1.0313044,0.1803546,-0.0679452,0.3515694,-0.4512963,0.0453043,-0.0994624,0.0372216,-0.3068668,0.1962135,0.2835746,-0.0347085,0.9368659,0.2580394,-0.0355692,-0.1550921,-0.0663874,-0.1702137,-1.3458626,0.3936016,-0.1324198,-0.3824621,-1.1196815,0.1741623,0.010519,0.2106549,-0.1142788,0.5773194,-0.4484452,0.0964735,-0.6560064,1.5465069,-0.2636883,0.1347118,-0.2538554,0.3353961,-0.4839979,-0.1498119,0.0197843,0.1028911,-1.2099092,0.1688597,-0.026703,0.1569337,-0.3492293,-0.1113274,-0.0723736,0.00485,-0.0516328,-0.0175601,0.013397,0.001092,0.0124323,0.0661619,0.0306235,0.0813011,-0.0179408,-0.0050932,-0.0431606,0.0250034,-0.00205,0.0290694,0.0885858,0.0213669,-0.0407707,-0.0542253,-0.0676199,0.0514364,0.0243988,-0.074276,-0.010453,-0.0240321,0.0075912,-0.0179947,0.0675473,-0.0327098,0.0363371,-0.0497857,0.0952439,-0.012976,0.0048244,1.5042394,-0.0334458,0.0730979,-0.0644055,0.0212015,0.0091633,0.0788435,0.010648,0.089427,-0.3400578,-0.028666,-0.0040179,-0.1407408,-0.0938991,-0.0157613,0.0165884,-0.010416,-0.1405491,-0.2566607,0.0491605,-0.0143301,0.1844463,-0.0490067,-0.0089719,-0.0392751,-0.0153502,-0.1439458,0.0960413,0.0541639,0.0006365,0.0749534,0.1189529,-0.0421115,-0.0032034,-0.0430797,-0.1208038,0.1532896,0.0440618,-0.0078893,0.020629,0.0635115,0.0165924,-0.0035906,0.0176726,0.1447176,0.057054,-0.0375462,0.0158054,-0.0933362,0.1349737,-0.0534484,0.0261167,-0.0508257,-0.1203264,0.1126038,-0.0496451,0.0077527,-0.0763159,0.0331326,0.0165432,0.0126802,0.0178071,0.1396691,-0.0127005,0.0007748,0.0060954,0.009835,-0.1390549,-0.000557,0.0044042,-0.0009905,-0.1442369,0.0109561,-0.0689411,0.006879,-0.0869128,-0.0386321,0.0278138,0.0101961,0.0286545,0.1296567,0.0252336,0.0619126,-0.0165874,0.080923,-0.0547931,0.0387585,-0.0200944,0.037861,0.1266963,-0.1101513,0.0051942,-0.0128667,0.0058582,0.0817395,0.0113729,-0.0129879,0.0113404,0.1391994
184.2706222,4.4017411,126.2275495,5.1940215,-12.5319708,59.6548463
X(C10H8N2O2)
0