p-phynylenediamine C6H8N2
XYZ [1KB]
Orbital data (ISO value 0.05)
Orbital 29 (HOMO)
PGV [1290KB]
WRL [1630KB]
Orbital 30 (LUMO)
PGV [1097KB]
WRL [1384KB]
Gaussian outputs
- optimize [481KB]
- frequency [103KB]
- orbitals [30KB]
PGV Samples /
Copyright(C) 1996-1997 CCIMS /
mizutani@ims.ac.jp