Jump to
S2C1
Energy calculated at CID/3-21G*
| hartrees |
Energy at 0K | -2103.158889 |
Energy at 298.15K | |
HF Energy | -2103.035870 |
Nuclear repulsion energy | 54.574891 |
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 CID/3-21G*
Point Group is C∞v
Cartesians (Å)
Atom |
x (Å) |
y (Å) |
z (Å) |
Ge1 |
0.000 |
0.000 |
0.294 |
C2 |
0.000 |
0.000 |
-1.568 |
Atom - Atom Distances (Å)
More geometry information
Electronic energy levels
Charges, Dipole, Quadrupole and Polarizability
Jump to
S1C1
Energy calculated at CID/3-21G*
| hartrees |
Energy at 0K | -2103.109525 |
Energy at 298.15K | -2103.108304 |
HF Energy | -2102.917211 |
Nuclear repulsion energy | 57.909968 |
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 CID/3-21G*
Point Group is C∞v
Cartesians (Å)
Atom |
x (Å) |
y (Å) |
z (Å) |
Ge1 |
0.000 |
0.000 |
0.277 |
C2 |
0.000 |
0.000 |
-1.477 |
Atom - Atom Distances (Å)
More geometry information
Electronic energy levels
Charges, Dipole, Quadrupole and Polarizability