Jump to
S2C1
Energy calculated at QCISD/6-311G*
| | hartrees |
| Energy at 0K | -2113.218127 |
| Energy at 298.15K | |
| HF Energy | -2113.042454 |
| Nuclear repulsion energy | 55.752340 |
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/6-311G*
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 QCISD/6-311G*
| | hartrees |
| Energy at 0K | -2113.185828 |
| Energy at 298.15K | -2113.184612 |
| HF Energy | -2112.927084 |
| Nuclear repulsion energy | 58.396831 |
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/6-311G*
Point Group is C∞v
Cartesians (Å)
| Atom |
x (Å) |
y (Å) |
z (Å) |
| Ge1 |
0.000 |
0.000 |
0.275 |
| C2 |
0.000 |
0.000 |
-1.465 |
Atom - Atom Distances (Å)
More geometry information
Electronic energy levels
Charges, Dipole, Quadrupole and Polarizability