butanal, n-butyraldehyde C3H7CHO
XYZ [1KB]
Orbital data (ISO value 0.1)
Orbital 20 (HOMO)
PGV [521KB]
WRL [644KB]
Orbital 21 (LUMO)
PGV [546KB]
WRL [676KB]
Gaussian outputs
- optimize
- frequency
- orbitals
PGV Samples /
Copyright(C) 1996-1997 CCIMS /
mizutani@ims.ac.jp