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S2C1
Energy calculated at QCISD/6-31G(2df,p)
| | hartrees |
| Energy at 0K | -2111.379416 |
| Energy at 298.15K | |
| HF Energy | -2111.187115 |
| Nuclear repulsion energy | 55.998203 |
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 QCISD/6-31G(2df,p)
Point Group is C∞v
Cartesians (Å)
| Atom |
x (Å) |
y (Å) |
z (Å) |
| Ge1 |
0.000 |
0.000 |
0.286 |
| C2 |
0.000 |
0.000 |
-1.528 |
Atom - Atom Distances (Å)
More geometry information
Electronic energy levels
Charges, Dipole, Quadrupole and Polarizability
Jump to
S1C1
Energy calculated at QCISD/6-31G(2df,p)
| | hartrees |
| Energy at 0K | -2111.348922 |
| Energy at 298.15K | -2111.347713 |
| HF Energy | -2111.073162 |
| Nuclear repulsion energy | 58.542638 |
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 QCISD/6-31G(2df,p)
Point Group is C∞v
Cartesians (Å)
| Atom |
x (Å) |
y (Å) |
z (Å) |
| Ge1 |
0.000 |
0.000 |
0.274 |
| C2 |
0.000 |
0.000 |
-1.461 |
Atom - Atom Distances (Å)
More geometry information
Electronic energy levels
Charges, Dipole, Quadrupole and Polarizability