GENERAL INFO
| Title: | Me3SnF_m06 |
| Browse item: | https://iochem-bd.iciq.es:443/browse/handle/100/100080 |
| Program: | Gaussian 16 ES64L-G16RevA.03 |
| Author: | Li, Yingzi |
| Formula: | C3H9FSn |
| Calculation type: | Single point Structure |
| Method(s): | RM06 |
MOLECULAR INFO
| Charge / Multiplicity: | 0 1 |
Full point group
| Full point group | C1 | NOp | 1 |
JOB |
Energies
| Energy | Value | Units |
|---|---|---|
| SCF Done: | -222.917198380 | Eh |
| Energy | Value | Units |
|---|---|---|
| HF | -222.9171984 | Eh |
Mulliken charges
Dipole moment (Debye)
Dipole moment
| X | Y | Z | Total |
|---|---|---|---|
| -0.0007 | 0.0010 | -3.8117 | 3.8117 |
Quadrupole moment
| XX | YY | ZZ | XY | XZ | YZ |
|---|---|---|---|---|---|
| -41.0116 | -41.0085 | -49.4738 | 0.0004 | -0.0040 | 0.0030 |
Report data
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