CX1-14-33-1
FOpt
RHF
STO-3G
MJHARVEY
08-Aug-2012
0
#
RHF/STO-3G
Minimal
opt
freq
Untitled-1
EM64L-G09RevB.01
1-AG
-78.3061796
5.836e-09
2.169e-06
0.0 0.0 0.0
-0.1815419,0.0834831,0.0980588,-0.0638437,0.,0.
SGH(C2H2),X(H4)
CX1-14-33-1
Freq
RHF
STO-3G
MJHARVEY
08-Aug-2012
0
#N
AllCheck
TCheck
Check
GenChk
RHF/STO-3G
Freq
Untitled-1
EM64L-G09RevB.01
1-AG
-78.3061796
1.161e-10
2.169e-06
0.0897042
0.093053
0.0 0.0 0.0
0.0550783,0.0152734,0.,0.0152736,-0.0083251,0.,0.,0.,-0.0118123,0.0550783,0.0152734,0.,0.0152736,-0.0083251,0.,0.,0.,-0.0118123,-0.0081384,-0.0273462,0.,-0.0171606,-0.0429417,0.,0.,0.,0.0394333,-0.02347,0.0060364,-0.0344463,0.0009435,0.0256334,0.0236662,-0.0258467,0.0256299,-0.0138105,-0.02347,0.0060364,0.0344463,0.0009435,0.0256334,-0.0236662,0.0258467,-0.0256299,-0.0138105,-0.0081384,-0.0273462,0.,-0.0171606,-0.0429417,0.,0.,0.,0.0394333,-0.02347,0.0060364,0.0344463,0.0009435,0.0256334,-0.0236662,0.0258467,-0.0256299,-0.0138105,-0.02347,0.0060364,-0.0344463,0.0009435,0.0256334,0.0236662,-0.0258467,0.0256299,-0.0138105
11.1114175,0.0738378,10.804881,0.,0.,10.7880178
-2.138031,-1.0781882,0.5937043,0.,0.,1.6856637,-1.1584661,0.9452898,2.5553112,0.,0.,-1.3645819,0.,0.,0.,2.0372501,-1.2843047,0.,2.138031,1.0781882,-0.5937043,0.,0.,-1.6856637,1.1584661,-0.9452898,-2.5553112,0.,0.,1.3645819,0.,0.,0.,-2.0372501,1.2843047,0.,-0.6829724,-2.256627,-0.3536692,0.,0.,-0.3304798,-0.193881,-1.0887015,-5.500143,0.,0.,0.1320985,0.,0.,0.,-0.8670248,-1.8976992,0.,-2.4080758,1.0812651,-0.1387926,-2.1052799,0.0046776,-0.5292202,0.4089614,-1.3438283,1.0961879,0.0916447,-1.7583184,0.4173541,-0.5237701,0.0850677,-0.1296495,-1.8334999,1.073184,-3.7789324,-2.4080758,1.0812651,-0.1387926,2.1052799,-0.0046776,-0.5292202,0.4089614,-1.3438283,1.0961879,-0.0916447,1.7583184,0.4173541,0.5237701,-0.0850677,0.1296495,-1.8334999,1.073184,3.7789324,0.6829724,2.256627,0.3536692,0.,0.,0.3304798,0.193881,1.0887015,5.500143,0.,0.,-0.1320985,0.,0.,0.,0.8670248,1.8976992,0.,2.4080758,-1.0812651,0.1387926,-2.1052799,0.0046776,0.5292202,-0.4089614,1.3438283,-1.0961879,0.0916447,-1.7583184,-0.4173541,-0.5237701,0.0850677,-0.1296495,1.8334999,-1.073184,-3.7789324,2.4080758,-1.0812651,0.1387926,2.1052799,-0.0046776,0.5292202,-0.4089614,1.3438283,-1.0961879,-0.0916447,1.7583184,-0.4173541,0.5237701,-0.0850677,0.1296495,1.8334999,-1.073184,3.7789324
0.,0.,0.,0.,0.,0.,0.,0.,0.,0.
0