ethanal, acetaldehyde CH3CHO
XYZ [1KB]
Orbital data (ISO value 0.1)
Orbital 12 (HOMO)
PGV [448KB]
WRL [556KB]
Orbital 13 (LUMO)
PGV [445KB]
WRL [552KB]
Gaussian outputs
- optimize
- frequency
- orbitals
PGV Samples /
Copyright(C) 1996-1997 CCIMS /
mizutani@ims.ac.jp