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srDFT_G2
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d507faf73b
srDFT_G2
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Ref
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Molecules
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NH.xyz
Emmanuel Giner
c9621a639f
added all z matrix format
2019-03-25 22:12:44 +01:00
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0,3
N
H,1,RNH
RNH=1.0447328
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