Jump to
S2C1
S3C1
S4C1
Energy calculated at MP4/aug-cc-pVTZ
| hartrees |
Energy at 0K | -2264.278686 |
Energy at 298.15K | -2264.279176 |
HF Energy | -2263.995980 |
Nuclear repulsion energy | 110.751529 |
The energy at 298.15K was derived from the energy at 0K
and an integrated heat capacity that used the calculated vibrational frequencies.
Geometric Data calculated at MP4/aug-cc-pVTZ
Point Group is C∞v
Cartesians (Å)
Atom |
x (Å) |
y (Å) |
z (Å) |
Ga1 |
0.000 |
0.000 |
0.724 |
P2 |
0.000 |
0.000 |
-1.497 |
Atom - Atom Distances (Å)
More geometry information
Electronic energy levels
Charges, Dipole, Quadrupole and Polarizability
Jump to
S1C1
S3C1
S4C1
Energy calculated at MP4/aug-cc-pVTZ
| hartrees |
Energy at 0K | -2264.278686 |
Energy at 298.15K | -2264.279176 |
HF Energy | -2263.995980 |
Nuclear repulsion energy | 110.751529 |
The energy at 298.15K was derived from the energy at 0K
and an integrated heat capacity that used the calculated vibrational frequencies.
Vibrational Frequencies calculated at MP4/aug-cc-pVTZ
Geometric Data calculated at MP4/aug-cc-pVTZ
Point Group is C∞v
Electronic energy levels
Charges, Dipole, Quadrupole and Polarizability
Jump to
S1C1
S2C1
S4C1
An error occurred on the server when processing the URL. Please contact the system administrator.
If you are the system administrator please click
here to find out more about this error.