12 lines
136 B
Plaintext
12 lines
136 B
Plaintext
|
#p ROCCSD(T,FreezeInnerNobleGasCore) aug-cc-pVDZ pop=full gfprint
|
||
|
|
|
||
|
|
G2
|
||
|
|
|
||
|
|
0,2
|
||
|
|
C
|
||
|
|
H,1,CH
|
||
|
|
H,1,CH,2,120.
|
||
|
|
H,1,CH,2,120.,3,180.,0
|
||
|
|
|
||
|
|
CH=1.08130823
|