F3 H7 \ / H5 - C1 - C2 - F8 / \ H4 H6
Tell me about atomic charges, the dipole moment, bond lengths, angles, bond orders,
or molecular orbital energies.
Tell me about the best Lewis structure.

## Atomic Charges and Dipole Moment

C1 charge= 0.080
C2 charge= 0.095
F3 charge=-0.246
H4 charge= 0.063
H5 charge= 0.099
H6 charge= 0.060
H7 charge= 0.096
F8 charge=-0.248
with a dipole moment of 2.95699 Debye

## Bond Lengths:

between C1 and C2: distance=1.512 ang___ between C1 and F3: distance=1.415 ang___
between C1 and H4: distance=1.107 ang___ between C1 and H5: distance=1.106 ang___
between C2 and H6: distance=1.107 ang___ between C2 and H7: distance=1.106 ang___
between C2 and F8: distance=1.416 ang___

## Bond Angles:

for F3-C1-C2: angle=111.0 deg___ for H4-C1-C2: angle=109.5 deg___
for H5-C1-C2: angle=110.9 deg___ for H6-C2-C1: angle=109.5 deg___
for H7-C2-C1: angle=110.8 deg___ for F8-C2-C1: angle=111.1 deg___

## Bond Orders (Mulliken):

between C1 and C2: order=0.856___ between C1 and F3: order=0.809___
between C1 and H4: order=0.985___ between C1 and H5: order=0.987___
between C2 and H6: order=0.985___ between C2 and H7: order=0.987___
between C2 and F8: order=0.809___

## 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 C1-C2 with 1.9952 electrons
__has 50.00% C 1 character in a sp2.41 hybrid
__has 50.00% C 2 character in a sp2.41 hybrid

2. A bonding orbital for C1-F3 with 1.9970 electrons
__has 27.74% C 1 character in a s0.77 p3 hybrid
__has 72.26% F 3 character in a sp2.89 hybrid

3. A bonding orbital for C1-H4 with 1.9853 electrons
__has 57.90% C 1 character in a sp3.01 hybrid
__has 42.10% H 4 character in a s orbital

4. A bonding orbital for C1-H5 with 1.9887 electrons
__has 58.66% C 1 character in a sp2.89 hybrid
__has 41.34% H 5 character in a s orbital

5. A bonding orbital for C2-H6 with 1.9854 electrons
__has 57.90% C 2 character in a sp3.01 hybrid
__has 42.10% H 6 character in a s orbital

6. A bonding orbital for C2-H7 with 1.9886 electrons
__has 58.66% C 2 character in a sp2.89 hybrid
__has 41.34% H 7 character in a s orbital

7. A bonding orbital for C2-F8 with 1.9970 electrons
__has 27.73% C 2 character in a s0.77 p3 hybrid
__has 72.27% F 8 character in a sp2.89 hybrid

12. A lone pair orbital for F3 with 1.9953 electrons

13. A lone pair orbital for F3 with 1.9804 electrons
__made from a p-pi orbital ( 99.98% p)

14. A lone pair orbital for F3 with 1.9786 electrons

15. A lone pair orbital for F8 with 1.9953 electrons

16. A lone pair orbital for F8 with 1.9805 electrons
__made from a p-pi orbital ( 99.98% p)

17. A lone pair orbital for F8 with 1.9787 electrons

-With core pairs on: C 1 C 2 F 3 F 8 -

#### 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 bonding donor orbital, 3, for C1-H4 with the antibonding acceptor orbital, 120, for C2-F8 is 22.3 kJ/mol.

The interaction of bonding donor orbital, 5, for C2-H6 with the antibonding acceptor orbital, 115, for C1-F3 is 22.3 kJ/mol.

The interaction of the second lone pair donor orbital, 13, for F3 with the antibonding acceptor orbital, 117, for C1-H5 is 30.1 kJ/mol.

The interaction of the third lone pair donor orbital, 14, for F3 with the antibonding acceptor orbital, 114, for C1-C2 is 30.6 kJ/mol.

The interaction of the second lone pair donor orbital, 16, for F8 with the antibonding acceptor orbital, 119, for C2-H7 is 29.9 kJ/mol.

The interaction of the third lone pair donor orbital, 17, for F8 with the antibonding acceptor orbital, 114, for C1-C2 is 30.7 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.

21 ----- 1.762
20 ----- 1.732

19 ----- 0.862

18 ----- 0.289

17 -^-v- -8.037
16 -^-v- -8.337 15 -^-v- -8.397

14 -^-v- -9.396

13 -^-v- -11.19
12 -^-v- -11.43
11 -^-v- -12.24
10 -^-v- -12.93 9 -^-v- -12.95

8 -^-v- -15.83

7 -^-v- -19.21

6 -^-v- -29.37 5 -^-v- -29.64

4 -^-v- -268.7 3 -^-v- -268.7

2 -^-v- -655.4 1 -^-v- -655.4