Jump to
S2C1
Energy calculated at MP2=FULL/TZVP
| | hartrees |
| Energy at 0K | -326.815361 |
| Energy at 298.15K | -326.813600 |
| HF Energy | -326.632321 |
| Nuclear repulsion energy | 25.948435 |
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=FULL/TZVP
Point Group is C∞v
Cartesians (Å)
| Atom |
x (Å) |
y (Å) |
z (Å) |
| Si1 |
0.000 |
0.000 |
0.514 |
| C2 |
0.000 |
0.000 |
-1.199 |
Atom - Atom Distances (Å)
More geometry information
Electronic energy levels
Charges, Dipole, Quadrupole and Polarizability
Jump to
S1C1
Energy calculated at MP2=FULL/TZVP
| | hartrees |
| Energy at 0K | -326.798920 |
| Energy at 298.15K | -326.797184 |
| HF Energy | -326.520364 |
| Nuclear repulsion energy | 26.341785 |
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=FULL/TZVP
Point Group is C∞v
Cartesians (Å)
| Atom |
x (Å) |
y (Å) |
z (Å) |
| Si1 |
0.000 |
0.000 |
0.506 |
| C2 |
0.000 |
0.000 |
-1.181 |
Atom - Atom Distances (Å)
More geometry information
Electronic energy levels
Charges, Dipole, Quadrupole and Polarizability