1
% emacs should use -*- KeyVal -*- mode
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% molecule specification
7
O [ 0.00000000 0.00000000 0.37000000 ]
8
H [ 0.78000000 0.00000000 -0.18000000 ]
9
H [ -0.78000000 0.00000000 -0.18000000 ]
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basis<GaussianBasisSet>: (
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functional<SumDenFunctional>: (
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coefs = [ 0.8 0.72 0.19 0.81]
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<SlaterXFunctional>: ()
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<Becke88XFunctional>: ()
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<VWN3LCFunctional>: ()
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guess_wavefunction<CLHF>: (
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basis<GaussianBasisSet>: (