Jump to
S2C1
Energy calculated at MP2/CEP-31G*
| hartrees |
Energy at 0K | -9.186476 |
Energy at 298.15K | -9.184706 |
HF Energy | -9.063731 |
Nuclear repulsion energy | 4.879125 |
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 MP2/CEP-31G*
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 |
-1.215 |
Atom - Atom Distances (Å)
More geometry information
Electronic energy levels
Charges, Dipole, Quadrupole and Polarizability
Jump to
S1C1
Energy calculated at MP2/CEP-31G*
| hartrees |
Energy at 0K | -9.166783 |
Energy at 298.15K | -9.165040 |
HF Energy | -8.951171 |
Nuclear repulsion energy | 4.976326 |
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 MP2/CEP-31G*
Point Group is C∞v
Cartesians (Å)
Atom |
x (Å) |
y (Å) |
z (Å) |
Si1 |
0.000 |
0.000 |
0.510 |
C2 |
0.000 |
0.000 |
-1.191 |
Atom - Atom Distances (Å)
More geometry information
Electronic energy levels
Charges, Dipole, Quadrupole and Polarizability