Jump to
S2C1
Energy calculated at MP3/cc-pVDZ
| | hartrees |
| Energy at 0K | -326.779125 |
| Energy at 298.15K | -326.777357 |
| HF Energy | -326.625886 |
| Nuclear repulsion energy | 25.661687 |
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 MP3/cc-pVDZ
Point Group is C∞v
Cartesians (Å)
| Atom |
x (Å) |
y (Å) |
z (Å) |
| Si1 |
0.000 |
0.000 |
0.520 |
| C2 |
0.000 |
0.000 |
-1.213 |
Atom - Atom Distances (Å)
More geometry information
Electronic energy levels
Charges, Dipole, Quadrupole and Polarizability
Jump to
S1C1
Energy calculated at MP3/cc-pVDZ
| | hartrees |
| Energy at 0K | -326.741924 |
| Energy at 298.15K | -326.740199 |
| HF Energy | -326.514381 |
| Nuclear repulsion energy | 26.563015 |
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 MP3/cc-pVDZ
Point Group is C∞v
Cartesians (Å)
| Atom |
x (Å) |
y (Å) |
z (Å) |
| Si1 |
0.000 |
0.000 |
0.502 |
| C2 |
0.000 |
0.000 |
-1.171 |
Atom - Atom Distances (Å)
More geometry information
Electronic energy levels
Charges, Dipole, Quadrupole and Polarizability