15 lines
141 B
Plaintext
15 lines
141 B
Plaintext
%nproc=24
|
|
%mem=100GB
|
|
#p ROCCSD(T) cc-pV5Z pop=full gfprint
|
|
|
|
G2
|
|
|
|
0,1
|
|
C
|
|
N,1,AB
|
|
X,1,1.,2,90.
|
|
H,1,AH,3,90.,2,180.,0
|
|
|
|
AB=1.15174191
|
|
AH=1.06658792
|