srDFT_G2/G09/Large_core/Molecules/avdz/Si2H6.inp
2019-04-04 11:10:45 +02:00

20 lines
266 B
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%nproc=24
%mem=100GB
#p ROCCSD(T) aug-cc-pVDZ pop=full gfprint
G2
0,1
Si
Si,1,R
H,1,SIH,2,SICC
H,1,SIH,2,SICC,3,120.,0
H,1,SIH,2,SICC,3,-120.,0
H,2,SIH,1,SICC,3,180.,0
H,2,SIH,1,SICC,6,120.,0
H,2,SIH,1,SICC,6,-120.,0
SICC=110.49912192
SIH=1.48548901
R=2.35421744