ethanoic acid, acetic acid CH3COOH
XYZ [1KB]
Orbital data (ISO value 0.1)
Orbital 16 (HOMO)
PGV [417KB]
WRL [517KB]
Orbital 17 (LUMO)
PGV [462KB]
WRL [574KB]
Gaussian outputs
- optimize [135KB]
- frequency [63KB]
- orbitals [18KB]
PGV Samples /
Copyright(C) 1996-1997 CCIMS /
mizutani@ims.ac.jp