Con. ET (Hartree) ER μ (Debye) Point Group
Hartree (x10-2) eV Cal/mole cm-1 Kelvin
C-1 -630.22675940 0.00000 0.0 0.0 0.0 0.000000 12.9889 C1
C-2 -630.22631622 0.00044318 1.206 278.10 97.267 139.946 14.6863 C1
C-3 -630.22326532 0.00349408 9.508 2192.569 766.862 1103.350 12.1899 C1
Con. →Conformer, ET → Total energy, ER → Relative energy and μ →Dipole moment.
Table 1: Total and relative energies of the possible conformers of zwitterionic L-TYR.