Jump to
S2C1
Energy calculated at QCISD/6-31G**
| | hartrees |
| Energy at 0K | -326.776675 |
| Energy at 298.15K | -326.774936 |
| HF Energy | -326.605686 |
| Nuclear repulsion energy | 25.731355 |
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 QCISD/6-31G**
Point Group is C∞v
Cartesians (Å)
| Atom |
x (Å) |
y (Å) |
z (Å) |
| Si1 |
0.000 |
0.000 |
0.518 |
| C2 |
0.000 |
0.000 |
-1.209 |
Atom - Atom Distances (Å)
More geometry information
Electronic energy levels
Charges, Dipole, Quadrupole and Polarizability
Jump to
S1C1
Energy calculated at QCISD/6-31G**
| | hartrees |
| Energy at 0K | -326.750241 |
| Energy at 298.15K | -326.748522 |
| HF Energy | -326.494024 |
| Nuclear repulsion energy | 26.858215 |
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 QCISD/6-31G**
Point Group is C∞v
Cartesians (Å)
| Atom |
x (Å) |
y (Å) |
z (Å) |
| Si1 |
0.000 |
0.000 |
0.497 |
| C2 |
0.000 |
0.000 |
-1.159 |
Atom - Atom Distances (Å)
More geometry information
Electronic energy levels
Charges, Dipole, Quadrupole and Polarizability