Jump to
S2C1
Energy calculated at MP4=FULL/cc-pVTZ
| hartrees |
Energy at 0K | -326.911872 |
Energy at 298.15K | -326.910127 |
HF Energy | -326.642807 |
Nuclear repulsion energy | 26.234277 |
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 MP4=FULL/cc-pVTZ
Point Group is C∞v
Cartesians (Å)
Atom |
x (Å) |
y (Å) |
z (Å) |
Si1 |
0.000 |
0.000 |
0.508 |
C2 |
0.000 |
0.000 |
-1.186 |
Atom - Atom Distances (Å)
More geometry information
Electronic energy levels
Charges, Dipole, Quadrupole and Polarizability
Jump to
S1C1
Energy calculated at MP4=FULL/cc-pVTZ
| hartrees |
Energy at 0K | -326.905722 |
Energy at 298.15K | -326.903984 |
HF Energy | -326.532375 |
Nuclear repulsion energy | 26.397187 |
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 MP4=FULL/cc-pVTZ
Point Group is C∞v
Cartesians (Å)
Atom |
x (Å) |
y (Å) |
z (Å) |
Si1 |
0.000 |
0.000 |
0.505 |
C2 |
0.000 |
0.000 |
-1.179 |
Atom - Atom Distances (Å)
More geometry information
Electronic energy levels
Charges, Dipole, Quadrupole and Polarizability