Jump to
S2C1
Energy calculated at MP4/cc-pV(T+d)Z
| | hartrees |
| Energy at 0K | -326.845804 |
| Energy at 298.15K | -326.844057 |
| HF Energy | -326.644675 |
| Nuclear repulsion energy | 26.233223 |
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/cc-pV(T+d)Z
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/cc-pV(T+d)Z
| | hartrees |
| Energy at 0K | -326.838720 |
| Energy at 298.15K | -326.836981 |
| HF Energy | -326.533963 |
| Nuclear repulsion energy | 26.358837 |
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/cc-pV(T+d)Z
Point Group is C∞v
Cartesians (Å)
| Atom |
x (Å) |
y (Å) |
z (Å) |
| Si1 |
0.000 |
0.000 |
0.506 |
| C2 |
0.000 |
0.000 |
-1.180 |
Atom - Atom Distances (Å)
More geometry information
Electronic energy levels
Charges, Dipole, Quadrupole and Polarizability