pentanoic acid, n-valeric acid C4H9COOH
XYZ [1KB]
Orbital data (ISO value 0.1)
Orbital 28 (HOMO)
PGV [303KB]
WRL [381KB]
Orbital 29 (LUMO)
PGV [333KB]
WRL [418KB]
Gaussian outputs
- optimize [235KB]
- frequency [111KB]
- orbitals [33KB]
PGV Samples /
Copyright(C) 1996-1997 CCIMS /
mizutani@ims.ac.jp