Jump to
S2C1
Energy calculated at CCSD(T)=FULL/TZVP
| hartrees |
Energy at 0K | -326.871909 |
Energy at 298.15K | -326.870169 |
HF Energy | -326.633368 |
Nuclear repulsion energy | 25.582837 |
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 CCSD(T)=FULL/TZVP
Point Group is C∞v
Cartesians (Å)
Atom |
x (Å) |
y (Å) |
z (Å) |
Si1 |
0.000 |
0.000 |
0.521 |
C2 |
0.000 |
0.000 |
-1.216 |
Atom - Atom Distances (Å)
More geometry information
Electronic energy levels
Charges, Dipole, Quadrupole and Polarizability
Jump to
S1C1
Energy calculated at CCSD(T)=FULL/TZVP
| hartrees |
Energy at 0K | -326.848461 |
Energy at 298.15K | -326.846733 |
HF Energy | -326.521237 |
Nuclear repulsion energy | 26.565463 |
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 CCSD(T)=FULL/TZVP
Point Group is C∞v
Cartesians (Å)
Atom |
x (Å) |
y (Å) |
z (Å) |
Si1 |
0.000 |
0.000 |
0.502 |
C2 |
0.000 |
0.000 |
-1.171 |
Atom - Atom Distances (Å)
More geometry information
Electronic energy levels
Charges, Dipole, Quadrupole and Polarizability