16 lines
174 B
Plaintext
16 lines
174 B
Plaintext
|
%nproc=24
|
||
|
|
%mem=100GB
|
||
|
|
#p ROCCSD(T) aug-cc-pVDZ pop=full gfprint
|
||
|
|
|
||
|
|
G2
|
||
|
|
|
||
|
|
0,1
|
||
|
|
N
|
||
|
|
X,1,1.
|
||
|
|
H,1,RNH,2,XNH
|
||
|
|
H,1,RNH,2,XNH,3,120.,0
|
||
|
|
H,1,RNH,2,XNH,3,240.,0
|
||
|
|
|
||
|
|
RNH=1.01719433
|
||
|
|
XNH=113.26166981
|