ethanenitrile CH3CN
XYZ [1KB]
Orbital data (ISO value 0.1)
Orbital 11 (HOMO)
PGV [452KB]
WRL [560KB]
Orbital 12 (LUMO)
PGV [477KB]
WRL [591KB]
Gaussian outputs
- optimize [104KB]
- frequency [54KB]
- orbitals [16KB]
PGV Samples /
Copyright(C) 1996-1997 CCIMS /
mizutani@ims.ac.jp