Gaussian: Difference between revisions

Gaussian (view source)

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-The geometry optimization can be restarted from the <tt>chk</tt> file as usual.
+Geometry optimization can be restarted from the <tt>chk</tt> file as usual.
-The one-step computation, such as Analytic frequency calculations, including properties like ROA and VCD with ONIOM; CCSD and EOM-CCSD calculations; NMR; Polar=OptRot; CID, CISD, CCD, QCISD and BD energies, can be restarted from <tt>rwf</tt> file.
+One-step computation, such as Analytic frequency calculations, including properties like ROA and VCD with ONIOM; CCSD and EOM-CCSD calculations; NMR; Polar=OptRot; CID, CISD, CCD, QCISD and BD energies, can be restarted from the <tt>rwf</tt> file.
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