heptanoic acid, n-enanthic acid C6H13COOH
XYZ [1KB]
Orbital data (ISO value 0.1)
Orbital 36 (HOMO)
PGV [299KB]
WRL [379KB]
Orbital 37 (LUMO)
PGV [271KB]
WRL [344KB]
Gaussian outputs
- optimize [306KB]
- frequency [162KB]
- orbitals [46KB]
PGV Samples /
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