## S2O cyclic

 S3 / | O1 - S2
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

O1 charge=-0.207
S2 charge= 0.103
S3 charge= 0.103
with a dipole moment of 1.43749 Debye

## Bond Lengths:

between O1 and S2: distance=1.756 ang___ between O1 and S3: distance=1.757 ang___
between S2 and S3: distance=2.096 ang___

## Bond Angles:

for S3-O1-S2: angle=73.25 deg___

## Bond Orders (Mulliken):

between O1 and S2: order=0.752___ between O1 and S3: order=0.752___
between S2 and S3: order=0.986___

## 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 O1-S2 with 1.9933 electrons
__has 68.42% O 1 character in a s0.34 p3 hybrid
__has 31.58% S 2 character in a s0.20 p3 d0.06 hybrid

2. A bonding orbital for O1-S3 with 1.9932 electrons
__has 68.41% O 1 character in a s0.34 p3 hybrid
__has 31.59% S 3 character in a s0.20 p3 d0.06 hybrid

3. A bonding orbital for S2-S3 with 1.9910 electrons
__has 49.98% S 2 character in a s0.18 p3 hybrid
__has 50.02% S 3 character in a s0.18 p3 hybrid

15. A lone pair orbital for O1 with 1.9965 electrons

16. A lone pair orbital for O1 with 1.9923 electrons
__made from a p-pi orbital ( 99.95% p)

17. A lone pair orbital for S2 with 1.9956 electrons

18. A lone pair orbital for S2 with 1.9948 electrons
__made from a p-pi orbital ( 99.99% p)

19. A lone pair orbital for S3 with 1.9956 electrons

20. A lone pair orbital for S3 with 1.9949 electrons
__made from a p-pi orbital ( 99.99% p)

-With core pairs on: O 1 S 2 S 2 S 2 S 2 S 2 S 3 S 3 S 3 S 3 S 3 -

#### 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.

24 ----- 4.536

23 ----- -1.617

22 ----- -3.671

21 ----- -4.258

20 -^-v- -5.839

19 -^-v- -6.139

18 -^-v- -9.478

17 -^-v- -10.40

16 -^-v- -11.03

15 -^-v- -11.49

14 -^-v- -17.07

13 -^-v- -18.34

12 -^-v- -26.92

11 -^-v- -156.6 10 -^-v- -156.6

9 -^-v- -157.1 8 -^-v- -157.2
7 -^-v- -157.3 6 -^-v- -157.3

5 -^-v- -209.9 4 -^-v- -209.9

3 -^-v- -508.8

2 -^-v- -2389. 1 -^-v- -2389.

## 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 = -871.6283414391 Hartrees