Jump to
S2C1
Energy calculated at ROMP2/6-31+G**
| hartrees |
Energy at 0K | -69.108852 |
Energy at 298.15K | -69.107880 |
HF Energy | -68.987846 |
Nuclear repulsion energy | 9.228136 |
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 ROMP2/6-31+G**
Point Group is C∞v
Cartesians (Å)
Atom |
x (Å) |
y (Å) |
z (Å) |
Be1 |
0.000 |
0.000 |
-1.022 |
N2 |
0.000 |
0.000 |
0.584 |
Atom - Atom Distances (Å)
More geometry information
Electronic energy levels
Charges, Dipole, Quadrupole and Polarizability
Jump to
S1C1
Energy calculated at ROMP2/6-31+G**
| hartrees |
Energy at 0K | -69.091241 |
Energy at 298.15K | -69.090288 |
HF Energy | -68.896281 |
Nuclear repulsion energy | 9.673957 |
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 ROMP2/6-31+G**
Point Group is C∞v
Cartesians (Å)
Atom |
x (Å) |
y (Å) |
z (Å) |
Be1 |
0.000 |
0.000 |
-0.974 |
N2 |
0.000 |
0.000 |
0.557 |
Atom - Atom Distances (Å)
More geometry information
Electronic energy levels
Charges, Dipole, Quadrupole and Polarizability