GENERAL INFO
| Title: | - |
| Program: | Gaussian 09 EM64L-G09RevD.01 |
| Formula: | C41H49N29O12 |
| Calculation type: | Single point Structure |
| Method(s): | RB97D - Grimme-D2 |
MOLECULAR INFO
| Charge / Multiplicity: |
Full point group
| Full point group | C1 | NOp | 1 |
JOB |
Energies
| Energy | Value | Units |
|---|---|---|
| SCF Done: | -299.046771393 | Eh |
| Energy | Value | Units |
|---|---|---|
| HF | -299.0467714 | Eh |
Mulliken charges
Dipole moment (Debye)
Dipole moment
| X | Y | Z | Total |
|---|---|---|---|
| -4.7321 | -1.8018 | 20.9104 | 21.5147 |
Quadrupole moment
| XX | YY | ZZ | XY | XZ | YZ |
|---|---|---|---|---|---|
| -20.5217 | -29.6727 | 55.9697 | 3.7792 | -20.0162 | -7.3601 |
Report data
This HTML file
