Jump to
S2C1
Energy calculated at MP4/3-21G
| | hartrees |
| Energy at 0K | -324.991220 |
| Energy at 298.15K | -324.989436 |
| HF Energy | -324.902191 |
| Nuclear repulsion energy | 24.735321 |
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 MP4/3-21G
Point Group is C∞v
Cartesians (Å)
| Atom |
x (Å) |
y (Å) |
z (Å) |
| Si1 |
0.000 |
0.000 |
0.539 |
| C2 |
0.000 |
0.000 |
-1.258 |
Atom - Atom Distances (Å)
More geometry information
Electronic energy levels
Charges, Dipole, Quadrupole and Polarizability
Jump to
S1C1
Energy calculated at MP4/3-21G
| | hartrees |
| Energy at 0K | -324.990208 |
| Energy at 298.15K | -324.988459 |
| HF Energy | -324.780505 |
| Nuclear repulsion energy | 25.490256 |
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 MP4/3-21G
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