propanoic acid, propionic acid C2H5COOH
XYZ [1KB]
Orbital data (ISO value 0.1)
Orbital 20 (HOMO)
PGV [399KB]
WRL [497KB]
Orbital 21 (LUMO)
PGV [436KB]
WRL [543KB]
Gaussian outputs
- optimize [165KB]
- frequency [87KB]
- orbitals [22KB]
PGV Samples /
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mizutani@ims.ac.jp