quinoline C9H7N
XYZ [1KB]
Orbital data (ISO value 0.05)
Orbital 34 (HOMO)
PGV [1211KB]
WRL [1529KB]
Orbital 35 (LUMO)
PGV [1305KB]
WRL [1649KB]
Gaussian outputs
- optimize [87KB]
- frequency [105KB]
- orbitals [31KB]
PGV Samples /
Copyright(C) 1996-1997 CCIMS /
mizutani@ims.ac.jp