p-xylene,p-dimethylbenzene C8H10
XYZ [1KB]
Orbital data (ISO value 0.05)
Orbital 29 (HOMO)
PGV [1091KB]
WRL [1377KB]
Orbital 30 (LUMO)
PGV [1017KB]
WRL [1282KB]
Gaussian outputs
- optimize [213KB]
- frequency [114KB]
- orbitals [33KB]
PGV Samples /
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mizutani@ims.ac.jp