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Appendix A. Keyword Reference |  |
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Appendix A. Keyword Reference | |
STO6G — Specify basis set to “deorthogonalize” the semiempirical density matrix.
STO6G
STO-6G is the default basis that is used to “deorthogonalize” the semiempirical density matrix. For faster (though less reliable) results, the STO-3G basis may be used instead by specifying the STO3G keyword.
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Copyright © 1992-2013 Semichem, Inc. All rights reserved. |
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SYBYL |