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S2C1
Energy calculated at CCSD(T)=FULL/aug-cc-pVQZ
| | hartrees |
| Energy at 0K | -2113.591415 |
| Energy at 298.15K | |
| HF Energy | -2113.132713 |
| Nuclear repulsion energy | 57.278422 |
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 CCSD(T)=FULL/aug-cc-pVQZ
Point Group is C∞v
Cartesians (Å)
| Atom |
x (Å) |
y (Å) |
z (Å) |
| Ge1 |
0.000 |
0.000 |
0.280 |
| C2 |
0.000 |
0.000 |
-1.494 |
Atom - Atom Distances (Å)
More geometry information
Electronic energy levels
Charges, Dipole, Quadrupole and Polarizability
Jump to
S1C1
Energy calculated at CCSD(T)=FULL/aug-cc-pVQZ
| | hartrees |
| Energy at 0K | -2113.570010 |
| Energy at 298.15K | -2113.568807 |
| HF Energy | -2113.021794 |
| Nuclear repulsion energy | 59.717639 |
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 CCSD(T)=FULL/aug-cc-pVQZ
Point Group is C∞v
Cartesians (Å)
| Atom |
x (Å) |
y (Å) |
z (Å) |
| Ge1 |
0.000 |
0.000 |
0.269 |
| C2 |
0.000 |
0.000 |
-1.433 |
Atom - Atom Distances (Å)
More geometry information
Electronic energy levels
Charges, Dipole, Quadrupole and Polarizability