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srDFT_G2
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8119906469
srDFT_G2
/
G09
/
Molecules
/
vtz
/
OH.xyz
Emmanuel Giner
f1e4015e88
produced total energies in vdz and vtz for g09
2019-03-27 11:46:26 +01:00
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0,2
O
H,1,ROH
ROH=0.97613331
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