Table 2. DFT Energies (kcal/mol) of Thymine Glycol Bases.

	6−31G*	6−31+G*	6−31G**	6−311++G**
cis-5R,6S-Tg
CH3 Axial	−404,706.93	−404,813.62	−404,808.12	−404,926.28
CH3 Equatorial	−404,702.80	−404,809.22	−404,804.34	−404,921.86
trans-5R,6R-Tg
CH3 Axial	−404,701.82	−404,808.58	−404,803.59	−404,921.29
CH3 Equatorial	−404,705.98	−404,812.83	−404,806.91	−404,925.39