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specify the number of orbitals to be frozen by atom- G09
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Topic: specify the number of orbitals to be frozen by atom- G09 (Read 1778 times)
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hde
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specify the number of orbitals to be frozen by atom- G09
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December 31, 2014, 06:58:08 AM »
I would like to specify the number of orbitals to be frozen by individual atom in Gaussian 09. Can someone please help me out regarding the keywords of the input? Thanks in advance.
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specify the number of orbitals to be frozen by atom- G09