Molecules	M	Cl₁	Cl₂	N₁	N₂	O₁	O₂	C₁	C₂	H₁	H₂
1	-	-	-	−0.12946	−0.05480	−0.63148	−0.56382	−0.04738	−0.11855	0.53571	0.49630
1a	0.37074	−0.34660	−0.34660	−0.09933	−0.09933	−0.53319	−0.53319	0.00033	0.00033	0.52905	0.52905
1b	0.46007	−0.39576	−0.39576	−0.10306	−0.10306	−0.53038	−0.53038	0.00753	0.00753	0.52923	0.52923
1c	0.40726	−0.38906	−0.38906	−0.08747	−0.08747	−0.52606	−0.52606	0.00923	0.00924	0.52805	0.52805
1d	0.72555	−0.48898	−0.48898	−0.14004	−0.14004	−0.53103	−0.53103	0.00954	0.00954	0.53189	0.53189
2	-	-	-	−0.13289	−0.13289	−0.61469	0.51882	0.18622	0.18622	0.51882	0.51882
2a	0.36531	−0.36627	−0.36627	−0.09941	−0.09941	−0.54727	−0.54727	0.21806	0.21806	0.52897	0.52897
2b	0.45630	−0.40887	−0.40947	−0.10859	−0.10897	−0.54964	−0.54711	0.22685	0.22685	0.52814	0.52814
2c	0.40617	−0.40062	−0.40004	−0.09617	−0.09557	−0.54387	−0.54638	0.22851	0.22804	0.52797	0.52709
2d	0.72771	−0.49620	−0.49765	−0.15248	−0.15187	−0.55224	−0.55080	0.22756	0.22794	0.53073	0.53134
3	-	-	-	−0.14296	−0.04334	−0.62093	−0.54271	0.13935	0.07813	0.53767	0.50029
3a	0.37099	−0.36471	−0.36468	−0.09323	−0.09297	−0.54174	−0.54176	0.22012	0.21845	0.52582	0.52582
3b	0.45920	−0.40725	−0.40728	−0.10386	−0.10359	−0.54208	−0.54210	0.22824	0.22662	0.52554	0.52554
3c	0.40843	−0.39868	−0.39867	−0.09091	−0.09063	−0.53927	−0.53930	0.22940	0.22780	0.52433	0.52433
3d	0.73010	−0.50412	−0.50412	−0.15355	−0.15355	−0.54451	−0.54451	0.23284	0.23284	0.53357	0.53357
4	-	-	-	−0.13592	−0.14087	−0.60406	−0.58988	0.17596	0.20040	0.52151	0.51776
4a	0.31307	−0.35301	−0.35295	−0.05147	−0.05145	−0.52723	−0.52723	0.14946	0.14946	0.52840	0.52838
4b	0.46580	−0.39199	−0.39199	−0.09457	−0.09457	−0.53871	−0.53869	0.17451	0.17452	0.52943	0.52943
4c	0.41231	−0.39118	−0.39112	−0.07825	−0.07823	−0.53415	−0.53415	0.17752	0.17753	0.52857	0.52854
4d	0.72930	−0.49416	−0.49411	−0.13332	−0.13358	−0.53847	−0.53856	0.17737	0.17723	0.53207	0.53203