15 lines
202 B
Plaintext
15 lines
202 B
Plaintext
|
%nproc=24
|
||
|
|
%mem=100GB
|
||
|
|
#p ROCCSD(T) aug-cc-pVTZ pop=full gfprint
|
||
|
|
|
||
|
|
G2
|
||
|
|
|
||
|
|
0,1
|
||
|
|
C
|
||
|
|
H,1,RCH
|
||
|
|
H,1,RCH,2,109.47122063
|
||
|
|
H,1,RCH,2,109.47122063,3,109.47122063,1
|
||
|
|
H,1,RCH,2,109.47122063,3,109.47122063,-1
|
||
|
|
|
||
|
|
RCH=1.09185419
|