Jump to
S2C1
Energy calculated at MP2/CEP-31G
| hartrees |
Energy at 0K | -267.048675 |
Energy at 298.15K | -267.048953 |
HF Energy | -266.747243 |
Nuclear repulsion energy | 29.402974 |
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/CEP-31G
Point Group is C∞v
Cartesians (Å)
Atom |
x (Å) |
y (Å) |
z (Å) |
Ga1 |
0.000 |
0.000 |
0.348 |
N2 |
0.000 |
0.000 |
-1.542 |
Atom - Atom Distances (Å)
More geometry information
Electronic energy levels
Charges, Dipole, Quadrupole and Polarizability
Jump to
S1C1
Energy calculated at MP2/CEP-31G
| hartrees |
Energy at 0K | -266.999571 |
Energy at 298.15K | -266.999941 |
HF Energy | -266.635173 |
Nuclear repulsion energy | 33.021212 |
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/CEP-31G
Point Group is C∞v
Cartesians (Å)
Atom |
x (Å) |
y (Å) |
z (Å) |
Ga1 |
0.000 |
0.000 |
0.310 |
N2 |
0.000 |
0.000 |
-1.373 |
Atom - Atom Distances (Å)
More geometry information
Electronic energy levels
Charges, Dipole, Quadrupole and Polarizability