## H2Se

 H3 | SE1 - H2
Tell me about the atomic charges, dipole moment, bond lengths, angles, bond orders,
molecular orbital energies, or total energy.
Tell me about the best Lewis structure.

## Atomic Charges and Dipole Moment

SE1 charge=-0.249
H2 charge= 0.125
H3 charge= 0.124
with a dipole moment of 1.10807 Debye

## Bond Lengths:

between SE1 and H2: distance=1.488 ang___ between SE1 and H3: distance=1.488 ang___

## Bond Angles:

for H3-SE1-H2: angle=90.55 deg___

## Bond Orders (Mulliken):

between SE1 and H2: order=0.979___ between SE1 and H3: order=0.979___

## 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 Se1-H2 with 1.9984 electrons
__has 54.16% Se 1 character in a s0.49 p3 hybrid
__has 45.84% H 2 character in a s orbital

2. A bonding orbital for Se1-H3 with 1.9984 electrons
__has 54.16% Se 1 character in a s0.49 p3 hybrid
__has 45.84% H 3 character in a s orbital

17. A lone pair orbital for Se1 with 1.9998 electrons

18. A lone pair orbital for Se1 with 1.9993 electrons
__made from a p-pi orbital ( 99.94% p 0.06% d)

-With core pairs on:Se 1 Se 1 Se 1 Se 1 Se 1 Se 1 Se 1 Se 1 Se 1 Se 1 Se 1 Se 1 Se 1 Se 1 -

#### 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.

## 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.

22 ----- 4.508
21 ----- 4.404

20 ----- 0.183

19 ----- -0.645

18 -^-v- -5.860

17 -^-v- -8.801

16 -^-v- -10.33

15 -^-v- -17.90

14 -^-v- -54.46
13 -^-v- -54.51
12 -^-v- -54.57

11 -^-v- -54.82
10 -^-v- -54.88

9 -^-v- -151.2

8 -^-v- -151.6
7 -^-v- -151.7

6 -^-v- -205.7

5 -^-v- -1404.
4 -^-v- -1404.
3 -^-v- -1404.

2 -^-v- -1561.

1 -^-v- -12281

## 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 = -2402.6021274917 Hartrees