13 lines
95 B
Plaintext
13 lines
95 B
Plaintext
|
#p CCSD(T) cc-pVDZ
|
||
|
|
||
|
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
|