Jump to
S2C1
Energy calculated at MP2/SDD
| hartrees |
Energy at 0K | -326.656858 |
Energy at 298.15K | -326.655067 |
HF Energy | -326.588371 |
Nuclear repulsion energy | 24.770425 |
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/SDD
Point Group is C∞v
Cartesians (Å)
Atom |
x (Å) |
y (Å) |
z (Å) |
Si1 |
0.000 |
0.000 |
0.538 |
C2 |
0.000 |
0.000 |
-1.256 |
Atom - Atom Distances (Å)
More geometry information
Electronic energy levels
Charges, Dipole, Quadrupole and Polarizability
Jump to
S1C1
Energy calculated at MP2/SDD
| hartrees |
Energy at 0K | -326.646850 |
Energy at 298.15K | -326.645094 |
HF Energy | -326.466680 |
Nuclear repulsion energy | 25.488422 |
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/SDD
Point Group is C∞v
Cartesians (Å)
Atom |
x (Å) |
y (Å) |
z (Å) |
Si1 |
0.000 |
0.000 |
0.523 |
C2 |
0.000 |
0.000 |
-1.221 |
Atom - Atom Distances (Å)
More geometry information
Electronic energy levels
Charges, Dipole, Quadrupole and Polarizability