12 lines
103 B
Plaintext
12 lines
103 B
Plaintext
|
#p ROCCSD(T) cc-pVDZ pop=full gfprint
|
||
|
|
|
||
|
|
G2
|
||
|
|
|
||
|
|
0,1
|
||
|
|
C
|
||
|
|
O,1,R
|
||
|
|
X,1,1.,2,90.
|
||
|
|
O,1,R,3,90.,2,180.,0
|
||
|
|
|
||
|
|
R=1.16287946
|