12 lines
94 B
Plaintext
12 lines
94 B
Plaintext
|
%nproc=24
|
||
|
%mem=100GB
|
||
|
#p ROCCSD(T) aug-cc-pVDZ pop=full gfprint
|
||
|
|
||
|
G2
|
||
|
|
||
|
0,2
|
||
|
N
|
||
|
O,1,r
|
||
|
|
||
|
r=1.15122729
|