biphenyl C12H10
XYZ [1KB]
Orbital data (ISO value 0.05)
Orbital 41 (HOMO)
PGV [1166KB]
WRL [1474KB]
Orbital 42 (LUMO)
PGV [1195KB]
WRL [1511KB]
Gaussian outputs
- optimize [195KB]
- frequency [145KB]
- orbitals [41KB]
PGV Samples /
Copyright(C) 1996-1997 CCIMS /
mizutani@ims.ac.jp