NH2NH-, Hydrazine anion

 H3 | N1 - N2 | | H4 H5
The ion charge is -1.

Atomic Charges and Dipole Moment

N1 charge=-0.883
N2 charge=-1.062
H3 charge= 0.326
H4 charge= 0.326
H5 charge= 0.292
with a dipole moment of 2.93599 Debye

Bond Lengths:

between N1 and N2: distance=1.528 ang___ between N1 and H3: distance=1.035 ang___
between N1 and H4: distance=1.035 ang___ between N2 and H5: distance=1.041 ang___

Bond Angles:

for H3-N1-N2: angle=106.4 deg___ for H4-N1-N2: angle=106.5 deg___
for H5-N2-N1: angle=99.93 deg___

Bond Orders (Mulliken):

between N1 and N2: order=0.598___ between N1 and H3: order=0.971___
between N1 and H4: order=0.971___ between N2 and H5: order=0.904___

Best Lewis Structure

The Lewis structure that is closest to your structure is determined. The hybridization of the atoms in this idealized Lewis structure is given in the table below.

Hybridization in the Best Lewis Structure

1. A bonding orbital for N1-N2 with 1.9950 electrons
__has 59.65% N 1 character in a sp2.58 hybrid
__has 40.35% N 2 character in a s0.60 p3 hybrid

2. A bonding orbital for N1-H3 with 1.9949 electrons
__has 64.56% N 1 character in a s0.85 p3 hybrid
__has 35.44% H 3 character in a s orbital

3. A bonding orbital for N1-H4 with 1.9950 electrons
__has 64.54% N 1 character in a s0.85 p3 hybrid
__has 35.46% H 4 character in a s orbital

4. A bonding orbital for N2-H5 with 1.9900 electrons
__has 62.17% N 2 character in a s0.82 p3 hybrid
__has 37.83% H 5 character in a s orbital

7. A lone pair orbital for N1 with 1.9914 electrons

8. A lone pair orbital for N2 with 1.9946 electrons

9. A lone pair orbital for N2 with 1.9637 electrons
__made from a p-pi orbital ( 99.96% p)

-With core pairs on: N 1 N 2 -

Donor Acceptor Interactions in the Best Lewis Structure

The localized orbitals in your best Lewis structure can interact strongly. A filled bonding or lone pair orbital can act as a donor and an empty or filled bonding, antibonding, or lone pair orbital can act as an acceptor. These interactions can strengthen and weaken bonds. For example, a lone pair donor->antibonding acceptor orbital interaction will weaken the bond associated with the antibonding orbital. Conversly, an interaction with a bonding pair as the acceptor will strengthen the bond. Strong electron delocalization in your best Lewis structure will also show up as donor-acceptor interactions.
Interactions greater than 20 kJ/mol for bonding and lone pair orbitals are listed below.

The interaction of the second lone pair donor orbital, 9, for N2 with the antibonding acceptor orbital, 64, for N1-H3 is 26.8 kJ/mol.

The interaction of the second lone pair donor orbital, 9, for N2 with the antibonding acceptor orbital, 65, for N1-H4 is 27.3 kJ/mol.

Molecular Orbital Energies

The orbital energies are given in eV, where 1 eV=96.49 kJ/mol. Orbitals with very low energy are core 1s orbitals. More antibonding orbitals than you might expect are sometimes listed, because d orbitals are always included for heavy atoms and p orbitals are included for H atoms. Up spins are shown with a ^ and down spins are shown as v.

13 ----- 10.28
12 ----- 9.281
11 ----- 8.424

10 ----- 7.051

9 -^-v- 3.635

8 -^-v- 2.449

7 -^-v- -1.029

6 -^-v- -2.623

5 -^-v- -4.747

4 -^-v- -9.586

3 -^-v- -14.81

2 -^-v- -368.1

1 -^-v- -370.6

Total Electronic Energy

The total electronic energy is a very large number, so by convention the units are given in atomic units, that is Hartrees (H). One Hartree is 2625.5 kJ/mol. The energy reference is for totally dissociated atoms. In other words, the reference state is a gas consisting of nuclei and electrons all at infinite distance from each other. The electronic energy includes all electric interactions and the kinetic energy of the electrons. This energy does not include translation, rotation, or vibration of the the molecule.

Total electronic energy = -111.2561842008 Hartrees