Jump to
S2C1
Energy calculated at MP2/LANL2DZ
| hartrees |
Energy at 0K | -41.498416 |
Energy at 298.15K | -41.496627 |
HF Energy | -41.435679 |
Nuclear repulsion energy | 7.142571 |
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/LANL2DZ
Point Group is C∞v
Cartesians (Å)
Atom |
x (Å) |
y (Å) |
z (Å) |
Si1 |
0.000 |
0.000 |
0.533 |
C2 |
0.000 |
0.000 |
-1.245 |
Atom - Atom Distances (Å)
More geometry information
Electronic energy levels
Charges, Dipole, Quadrupole and Polarizability
Jump to
S1C1
Energy calculated at MP2/LANL2DZ
| hartrees |
Energy at 0K | -41.489747 |
Energy at 298.15K | -41.487994 |
HF Energy | -41.314066 |
Nuclear repulsion energy | 7.323852 |
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/LANL2DZ
Point Group is C∞v
Cartesians (Å)
Atom |
x (Å) |
y (Å) |
z (Å) |
Si1 |
0.000 |
0.000 |
0.520 |
C2 |
0.000 |
0.000 |
-1.214 |
Atom - Atom Distances (Å)
More geometry information
Electronic energy levels
Charges, Dipole, Quadrupole and Polarizability