13 lines
111 B
Plaintext
13 lines
111 B
Plaintext
#p CCSD(T) cc-pVDZ pop=full gfprint
|
|
|
|
G2
|
|
|
|
0,2
|
|
P
|
|
X,1,1.
|
|
H,1,R,2,A
|
|
H,1,R,2,A,3,180.,0
|
|
|
|
R=1.42692167
|
|
A=45.79311753
|