Jump to
S2C1
Energy calculated at MP2=FULL/6-31G*
| hartrees |
Energy at 0K | -2111.114239 |
Energy at 298.15K | |
HF Energy | -2110.958193 |
Nuclear repulsion energy | 56.061077 |
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 MP2=FULL/6-31G*
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 |
-1.526 |
Atom - Atom Distances (Å)
More geometry information
Electronic energy levels
Charges, Dipole, Quadrupole and Polarizability
Jump to
S1C1
Energy calculated at MP2=FULL/6-31G*
| hartrees |
Energy at 0K | -2111.104178 |
Energy at 298.15K | -2111.102954 |
HF Energy | -2110.842244 |
Nuclear repulsion energy | 57.995500 |
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 MP2=FULL/6-31G*
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 |
-1.475 |
Atom - Atom Distances (Å)
More geometry information
Electronic energy levels
Charges, Dipole, Quadrupole and Polarizability