srDFT_G2/Ref/Molecules/g09/PH3.inp

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2019-03-25 22:47:41 +01:00
#p CCSD(T) cc-pVDZ pop=full gfprint
2019-03-25 22:30:19 +01:00
G2
0,1
P
X,1,1.
H,1,R,2,BETA
H,1,R,2,BETA,3,120.,0
H,1,R,2,BETA,3,-120.,0
R=1.42205572
BETA=122.9486097