Molecules	E_HOMO	E_LUMO	∆E_H_-_L	µ	ɳ	w	S
1a	−7.22	−4.53	2.68	−5.87	1.34	12.85	0.37
1b	−7.76	−3.85	3.91	−5.80	1.96	8.60	0.26
1c	−7.44	−3.85	3.59	−5.65	1.79	8.89	0.28
1d	−7.71	−3.83	3.88	−5.78	1.94	8.59	0.26
2a	−6.82	−4.15	2.66	−5.48	1.33	1.30	0.38
2b	−7.45	−3.31	4.14	−5.38	2.07	6.99	0.24
2c	−7.14	−3.30	3.85	−5.22	1.92	7.09	0.26
2d	−7.42	−3.28	4.14	−5.35	2.07	6.92	0.24
3a	−6.65	−4.12	2.53	−5.39	1.26	11.47	0.40
3b	−7.26	−3.40	3.86	−5.33	1.93	7.36	0.26
3c	−7.02	−3.40	3.63	−5.21	1.81	7.48	0.28
3d	−7.25	−3.18	4.07	−5.22	2.04	6.69	0.25
4a	−7.13	−4.44	2.69	−5.78	1.34	12.42	0.37
4b	−6.99	−4.34	2.66	−5.67	1.32	12.09	0.38
4c	−6.96	−4.34	2.62	−5.65	1.31	12.18	0.38
4d	−7.18	−4.38	2.80	−5.78	1.40	11.91	0.36