cycloheptane C7H14
XYZ [1KB]
Orbital data (ISO value 0.05)
Orbital 28 (HOMO)
PGV [1165KB]
WRL [1472KB]
Orbital 29 (LUMO)
PGV [889KB]
WRL [1121KB]
Gaussian outputs
- optimize [402KB]
- frequency [140KB]
- orbitals [43KB]
PGV Samples /
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mizutani@ims.ac.jp