srDFT_G2/G09/Large_core/Molecules/avtz/CH2_1A1.inp
2019-04-04 11:10:45 +02:00

14 lines
125 B
Plaintext

%nproc=24
%mem=100GB
#p ROCCSD(T) aug-cc-pVTZ pop=full gfprint
G2
0,1
C
H,1,CH
H,1,CH,2,HCH
CH=1.11792921
HCH=99.85526193