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14 lines
148 B
14 lines
148 B
2 years ago
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#CMMDE generated Orca input file
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!XTB2 Numfreq
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%pal
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nprocs 1
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end
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*xyzfile 0 1 cmmd.xyz
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%freq
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scalfreq 1
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Temp 298.15
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Pressure 1.0
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end
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