Jump to
S2C1
Energy calculated at MP2/SDD
| hartrees |
Energy at 0K | -84.089501 |
Energy at 298.15K | |
HF Energy | -83.914886 |
Nuclear repulsion energy | 14.843102 |
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/SDD
Point Group is C∞v
Cartesians (Å)
Atom |
x (Å) |
y (Å) |
z (Å) |
Se1 |
0.000 |
0.000 |
0.326 |
O2 |
0.000 |
0.000 |
-1.385 |
Atom - Atom Distances (Å)
More geometry information
Electronic energy levels
Charges, Dipole, Quadrupole and Polarizability
Jump to
S1C1
Energy calculated at MP2/SDD
| hartrees |
Energy at 0K | -84.071513 |
Energy at 298.15K | -84.068899 |
Nuclear repulsion energy | 13.649213 |
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/SDD
Point Group is C∞v
Cartesians (Å)
Atom |
x (Å) |
y (Å) |
z (Å) |
Se1 |
0.000 |
0.000 |
0.354 |
O2 |
0.000 |
0.000 |
-1.506 |
Atom - Atom Distances (Å)
More geometry information
Electronic energy levels
Charges, Dipole, Quadrupole and Polarizability