Jump to
S2C1
Energy calculated at MP2/CEP-31G
| hartrees |
Energy at 0K | -24.898079 |
Energy at 298.15K | |
HF Energy | -24.734154 |
Nuclear repulsion energy | 11.059218 |
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 MP2/CEP-31G
Point Group is C∞v
Cartesians (Å)
Atom |
x (Å) |
y (Å) |
z (Å) |
Se1 |
0.000 |
0.000 |
0.328 |
O2 |
0.000 |
0.000 |
-1.394 |
Atom - Atom Distances (Å)
More geometry information
Electronic energy levels
Charges, Dipole, Quadrupole and Polarizability
Jump to
S1C1
Energy calculated at MP2/CEP-31G
| hartrees |
Energy at 0K | -24.878947 |
Energy at 298.15K | -24.876273 |
Nuclear repulsion energy | 10.107176 |
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 MP2/CEP-31G
Point Group is C∞v
Cartesians (Å)
Atom |
x (Å) |
y (Å) |
z (Å) |
Se1 |
0.000 |
0.000 |
0.359 |
O2 |
0.000 |
0.000 |
-1.526 |
Atom - Atom Distances (Å)
More geometry information
Electronic energy levels
Charges, Dipole, Quadrupole and Polarizability