14 lines
171 B
Plaintext
14 lines
171 B
Plaintext
#p ROCCSD(T,FreezeInnerNobleGasCore) cc-pVTZ pop=full gfprint
|
|
|
|
G2
|
|
|
|
0,2
|
|
Si
|
|
X,1,1.
|
|
H,1,R,2,BETA
|
|
H,1,R,2,BETA,3,120.,0
|
|
H,1,R,2,BETA,3,-120.,0
|
|
|
|
R=1.48480778
|
|
BETA=107.89090342
|