13 lines
143 B
Plaintext
13 lines
143 B
Plaintext
#p ROCCSD(T,FreezeInnerNobleGasCore) aug-cc-pVQZ pop=full gfprint
|
|
|
|
G2
|
|
|
|
0,2
|
|
C
|
|
O,1,CO
|
|
H,1,CH,2,HCO
|
|
|
|
CO=1.17621067
|
|
CH=1.12859543
|
|
HCO=124.03532275
|