Jump to
S2C1
Energy calculated at MP2/6-31G**
| | hartrees |
| Energy at 0K | -2111.079033 |
| Energy at 298.15K | |
| HF Energy | -2110.958584 |
| Nuclear repulsion energy | 55.749739 |
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 MP2/6-31G**
Point Group is C∞v
Cartesians (Å)
| Atom |
x (Å) |
y (Å) |
z (Å) |
| Ge1 |
0.000 |
0.000 |
0.288 |
| C2 |
0.000 |
0.000 |
-1.535 |
Atom - Atom Distances (Å)
More geometry information
Electronic energy levels
Charges, Dipole, Quadrupole and Polarizability
Jump to
S1C1
Energy calculated at MP2/6-31G**
| | hartrees |
| Energy at 0K | -2111.067607 |
| Energy at 298.15K | -2111.066383 |
| HF Energy | -2110.841694 |
| Nuclear repulsion energy | 57.644168 |
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 MP2/6-31G**
Point Group is C∞v
Cartesians (Å)
| Atom |
x (Å) |
y (Å) |
z (Å) |
| Ge1 |
0.000 |
0.000 |
0.278 |
| C2 |
0.000 |
0.000 |
-1.484 |
Atom - Atom Distances (Å)
More geometry information
Electronic energy levels
Charges, Dipole, Quadrupole and Polarizability