The optimized geometries for Bromine are shown below. There were only 2 levels of theory that were calculated. The bond length of Br₂ is 180 degrees. The literature value of 2.281 angstroms was closely related to the 6-31G level of theory value of 2.41 angstroms.

6-31G was the lowest level of theory obtained for geometry optimization. Which also shown the closed bond length to the literature value.

HOMO stands for highest occupied molecular orbital. The orbital was determined by taking the total number of electrons and dividing by two. That orbital was found out to be number 35
LUMO is the lowest unoccupied molecular orbital. It was determined to be orbital 36 which is the next orbital where if there was enough energy put into the molecule it would become an excited state.

Table 1: Bonding orbitals and their types

Types of Bonding	Orbital
Sigma	Jmol4 will appear here.
Anti-Sigma	Jmol5 will appear here.
P-Sigma	Jmol6 will appear here.
Pi	Jmol7 will appear here.
Pi Anti	Jmol8 will appear here.

The final calculated value for the vibrational frequency using DZV theory came out to be 310.02 cm^-1.  The NIST website for Br₂ gave a value of 325 cm^-1

The figures below are calculated potential energy curves, as level of theory calculations go up the lower the lowest potential energy is.

Figure 1: 6-31G Energy plot

Figure 2: DZV Energy Plot


There is no dipole moment in this molecule so there were no dipole calculations needed to be done.