Jump to
S2C1
Energy calculated at CCD/TZVP
| hartrees |
Energy at 0K | -2113.348346 |
Energy at 298.15K | |
HF Energy | -2113.087101 |
Nuclear repulsion energy | 55.784381 |
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 CCD/TZVP
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 |
-1.534 |
Atom - Atom Distances (Å)
More geometry information
Electronic energy levels
Charges, Dipole, Quadrupole and Polarizability
Jump to
S1C1
Energy calculated at CCD/TZVP
| hartrees |
Energy at 0K | -2113.314673 |
Energy at 298.15K | -2113.313454 |
HF Energy | -2112.971549 |
Nuclear repulsion energy | 58.514395 |
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 CCD/TZVP
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 |
-1.462 |
Atom - Atom Distances (Å)
More geometry information
Electronic energy levels
Charges, Dipole, Quadrupole and Polarizability