14 lines
125 B
Plaintext
14 lines
125 B
Plaintext
|
%nproc=24
|
||
|
|
%mem=100GB
|
||
|
|
#p ROCCSD(T) cc-pV5Z pop=full gfprint
|
||
|
|
|
||
|
|
G2
|
||
|
|
|
||
|
|
0,2
|
||
|
|
N
|
||
|
|
H,1,RBH
|
||
|
|
H,1,RBH,2,HBH
|
||
|
|
|
||
|
|
RBH=1.03128471
|
||
|
|
HBH=101.91770685
|