Jump to
S2C1
Energy calculated at ROMP2/6-311G*
| hartrees |
Energy at 0K | -69.125050 |
Energy at 298.15K | -69.124080 |
HF Energy | -68.998694 |
Nuclear repulsion energy | 9.276689 |
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 ROMP2/6-311G*
Point Group is C∞v
Cartesians (Å)
Atom |
x (Å) |
y (Å) |
z (Å) |
Be1 |
0.000 |
0.000 |
-1.017 |
N2 |
0.000 |
0.000 |
0.581 |
Atom - Atom Distances (Å)
More geometry information
Electronic energy levels
Charges, Dipole, Quadrupole and Polarizability
Jump to
S1C1
Energy calculated at ROMP2/6-311G*
| hartrees |
Energy at 0K | -69.107123 |
Energy at 298.15K | -69.106164 |
HF Energy | -68.905886 |
Nuclear repulsion energy | 9.686655 |
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 ROMP2/6-311G*
Point Group is C∞v
Cartesians (Å)
Atom |
x (Å) |
y (Å) |
z (Å) |
Be1 |
0.000 |
0.000 |
-0.973 |
N2 |
0.000 |
0.000 |
0.556 |
Atom - Atom Distances (Å)
More geometry information
Electronic energy levels
Charges, Dipole, Quadrupole and Polarizability