benzonitrile,phenylcyanide C7H5N
XYZ [1KB]
Orbital data (ISO value 0.05)
Orbital 27 (HOMO)
PGV [1154KB]
WRL [1454KB]
Orbital 28 (LUMO)
PGV [1283KB]
WRL [1619KB]
Gaussian outputs
- optimize [160KB]
- frequency [104KB]
- orbitals [25KB]
PGV Samples /
Copyright(C) 1996-1997 CCIMS /
mizutani@ims.ac.jp