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	hartrees
Energy at 0K	-1148.899780
Energy at 298.15K	-1148.904159
HF Energy	-1148.369634
Nuclear repulsion energy	461.611325

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3308	3102	7.13
2	A₁	3286	3082	8.25
3	A₁	1700	1595	2.86
4	A₁	1578	1479	48.98
5	A₁	1319	1237	0.12
6	A₁	1252	1174	0.07
7	A₁	1205	1130	23.26
8	A₁	1103	1034	6.00
9	A₁	701	657	15.39
10	A₁	477	448	9.00
11	A₁	203	190	0.00
12	A₂	984	923	0.00
13	A₂	921	863	0.00
14	A₂	726	681	0.00
15	A₂	544	510	0.00
16	A₂	143	134	0.00
17	B₁	994	932	3.82
18	B₁	811	760	80.88
19	B₁	476	446	7.13
20	B₁	245	230	0.88
21	B₂	3301	3096	3.90
22	B₂	3270	3067	2.07
23	B₂	1705	1599	6.34
24	B₂	1541	1445	18.34
25	B₂	1362	1277	2.63
26	B₂	1209	1134	2.25
27	B₂	1095	1026	42.19
28	B₂	770	722	19.90
29	B₂	433	406	0.91
30	B₂	344	322	0.20

Atom	y (Å)	z (Å)
C1	0.695	-0.003
C2	-0.695	-0.003
C3	1.396	1.204
C4	-1.396	1.204
C5	0.700	2.416
C6	-0.700	2.416
Cl7	1.648	-1.543
Cl8	-1.648	-1.543
H9	2.477	1.187
H10	-2.477	1.187
H11	1.249	3.349
H12	-1.249	3.349

	C1	C2	C3	C4	C5	C6	Cl7	Cl8	H9	H10	H11	H12
C1		1.3909	1.3957	2.4147	2.4185	2.7920	1.8111	2.8042	2.1422	3.3882	3.3971	3.8747
C2	1.3909		2.4147	1.3957	2.7920	2.4185	2.8042	1.8111	3.3882	2.1422	3.8747	3.3971
C3	1.3957	2.4147		2.7913	1.3969	2.4202	2.7594	4.1004	1.0815	3.8728	2.1495	3.4045
C4	2.4147	1.3957	2.7913		2.4202	1.3969	4.1004	2.7594	3.8728	1.0815	3.4045	2.1495
C5	2.4185	2.7920	1.3969	2.4202		1.3993	4.0709	4.6026	2.1609	3.4061	1.0828	2.1602
C6	2.7920	2.4185	2.4202	1.3969	1.3993		4.6026	4.0709	3.4061	2.1609	2.1602	1.0828
Cl7	1.8111	2.8042	2.7594	4.1004	4.0709	4.6026		3.2955	2.8532	4.9464	4.9085	5.6853
Cl8	2.8042	1.8111	4.1004	2.7594	4.6026	4.0709	3.2955		4.9464	2.8532	5.6853	4.9085
H9	2.1422	3.3882	1.0815	3.8728	2.1609	3.4061	2.8532	4.9464		4.9541	2.4869	4.3076
H10	3.3882	2.1422	3.8728	1.0815	3.4061	2.1609	4.9464	2.8532	4.9541		4.3076	2.4869
H11	3.3971	3.8747	2.1495	3.4045	1.0828	2.1602	4.9085	5.6853	2.4869	4.3076		2.4971
H12	3.8747	3.3971	3.4045	2.1495	2.1602	1.0828	5.6853	4.9085	4.3076	2.4869	2.4971

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	120.111	C1	C2	Cl8	121.722
C1	C3	C5	120.003	C1	C3	H9	119.166
C2	C1	C3	120.111	C2	C1	Cl7	121.722
C2	C4	C6	120.003	C2	C4	H10	119.166
C3	C1	Cl7	118.166	C3	C5	C6	119.886
C3	C5	H11	119.654	C4	C2	Cl8	118.166
C4	C6	C5	119.886	C4	C6	H12	119.654
C5	C3	H9	120.831	C5	C6	H12	120.460
C6	C4	H10	120.831	C6	C5	H11	120.460

All results from a given calculation for C₆H₄Cl₂ (1,2-dichlorobenzene)

using model chemistry: CISD/6-31G

States and conformations

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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All results from a given calculation for C6H4Cl2 (1,2-dichlorobenzene)

using model chemistry: CISD/6-31G

States and conformations

All results from a given calculation for C₆H₄Cl₂ (1,2-dichlorobenzene)