Jump to
S2C1
Energy calculated at CISD/6-311G*
| hartrees |
Energy at 0K | -326.793192 |
Energy at 298.15K | -326.791445 |
HF Energy | -326.632267 |
Nuclear repulsion energy | 25.882009 |
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 CISD/6-311G*
Point Group is C∞v
Cartesians (Å)
Atom |
x (Å) |
y (Å) |
z (Å) |
Si1 |
0.000 |
0.000 |
0.515 |
C2 |
0.000 |
0.000 |
-1.202 |
Atom - Atom Distances (Å)
More geometry information
Electronic energy levels
Charges, Dipole, Quadrupole and Polarizability
Jump to
S1C1
Energy calculated at CISD/6-311G*
| hartrees |
Energy at 0K | -326.747285 |
Energy at 298.15K | -326.745568 |
HF Energy | -326.522782 |
Nuclear repulsion energy | 27.014339 |
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 CISD/6-311G*
Point Group is C∞v
Cartesians (Å)
Atom |
x (Å) |
y (Å) |
z (Å) |
Si1 |
0.000 |
0.000 |
0.494 |
C2 |
0.000 |
0.000 |
-1.152 |
Atom - Atom Distances (Å)
More geometry information
Electronic energy levels
Charges, Dipole, Quadrupole and Polarizability