octanoic acid, n-caprylic acid C7H15COOH
XYZ [1KB]
Orbital data (ISO value 0.1)
Orbital 40 (HOMO)
PGV [308KB]
WRL [392KB]
Orbital 41 (LUMO)
PGV [246KB]
WRL [315KB]
Gaussian outputs
- optimize [372KB]
- frequency [192KB]
- orbitals [53KB]
PGV Samples /
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