GAMESS Input Deck (gas phase / scftype / multiplicity)

[ghutchis]

Right now there is no gas phase option. Only water, but the corresponding
keywords are not it the input file.

When I build C-C-N and add hydrogens, I get CH3-CH2-NH3. That's fine, but
when I open the GAMESS input, the input says scftyp=rohf, mult=2 (i.e.
doublet); while the menu says singlet. Assuming the charge is neutral, the
input is actually correct. Another option is cation, singlet, but when I
try this the ROHF does not go away as it should.

Reported by: dcurtis3

[ghutchis]

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Originator: YES

Have made a couple commits that should resolve this bug.

Original comment by: dcurtis3

[ghutchis]

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Original comment by: sf-robot