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srDFT_G2
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Ref
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Molecules
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g09
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CH3.xyz
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g09 input
2019-03-25 22:30:19 +01:00
0,2
C
H,1,CH
H,1,CH,2,120.
H,1,CH,2,120.,3,180.,0
create_ezfio.sh
2019-03-25 23:18:37 +01:00
g09 input
2019-03-25 22:30:19 +01:00
CH=1.08130823
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