Jump to
S2C1
Energy calculated at CCSD=FULL/cc-pVQZ
| hartrees |
Energy at 0K | -326.935860 |
Energy at 298.15K | -326.934128 |
HF Energy | -326.649096 |
Nuclear repulsion energy | 26.057503 |
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=FULL/cc-pVQZ
Point Group is C∞v
Cartesians (Å)
Atom |
x (Å) |
y (Å) |
z (Å) |
Si1 |
0.000 |
0.000 |
0.512 |
C2 |
0.000 |
0.000 |
-1.194 |
Atom - Atom Distances (Å)
More geometry information
Electronic energy levels
Charges, Dipole, Quadrupole and Polarizability
Jump to
S1C1
Energy calculated at CCSD=FULL/cc-pVQZ
| hartrees |
Energy at 0K | -326.900023 |
Energy at 298.15K | -326.898306 |
HF Energy | -326.540200 |
Nuclear repulsion energy | 27.115240 |
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=FULL/cc-pVQZ
Point Group is C∞v
Cartesians (Å)
Atom |
x (Å) |
y (Å) |
z (Å) |
Si1 |
0.000 |
0.000 |
0.492 |
C2 |
0.000 |
0.000 |
-1.148 |
Atom - Atom Distances (Å)
More geometry information
Electronic energy levels
Charges, Dipole, Quadrupole and Polarizability