Datum.type for Gaussian energies were all the same
Datum.type for Gaussian energies were all the same

Only the Gaussian energies had every Datum.typ = 'e' (Jaguar and
MacroModel were both set properly). This has been corrected.

arosale4/q2mm,arosale4/q2mm,ericchansen/q2mm,ericchansen/q2mm,Q2MM/q2mm,Q2MM/q2mm