14 lines
144 B
Plaintext
14 lines
144 B
Plaintext
#p ROCCSD(T) cc-pVDZ pop=full gfprint
|
|
|
|
G2
|
|
|
|
0,1
|
|
O
|
|
C,1,RCO
|
|
H,2,RH,1,THETA
|
|
H,2,RH,1,THETA,3,180.,0
|
|
|
|
RCO=1.19995954
|
|
THETA=122.47953272
|
|
RH=1.1108676
|