Jump to
S2C1
Energy calculated at QCISD/6-311G**
| | hartrees |
| Energy at 0K | -326.811972 |
| Energy at 298.15K | -326.810235 |
| HF Energy | -326.632537 |
| Nuclear repulsion energy | 25.769071 |
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/6-311G**
Point Group is C∞v
Cartesians (Å)
| Atom |
x (Å) |
y (Å) |
z (Å) |
| Si1 |
0.000 |
0.000 |
0.517 |
| C2 |
0.000 |
0.000 |
-1.207 |
Atom - Atom Distances (Å)
More geometry information
Electronic energy levels
Charges, Dipole, Quadrupole and Polarizability
Jump to
S1C1
Energy calculated at QCISD/6-311G**
| | hartrees |
| Energy at 0K | -326.784304 |
| Energy at 298.15K | -326.782586 |
| HF Energy | -326.522481 |
| Nuclear repulsion energy | 26.880719 |
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/6-311G**
Point Group is C∞v
Cartesians (Å)
| Atom |
x (Å) |
y (Å) |
z (Å) |
| Si1 |
0.000 |
0.000 |
0.496 |
| C2 |
0.000 |
0.000 |
-1.158 |
Atom - Atom Distances (Å)
More geometry information
Electronic energy levels
Charges, Dipole, Quadrupole and Polarizability