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	hartrees
Energy at 0K	-1150.950081
Energy at 298.15K	-1150.954364
HF Energy	-1150.950081
Nuclear repulsion energy	469.376416

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3245	3122	2.82
2	A₁	3230	3107	4.70
3	A₁	1647	1584	4.94
4	A₁	1498	1441	70.45
5	A₁	1369	1317	1.71
6	A₁	1176	1131	20.21
7	A₁	1162	1118	27.24
8	A₁	1069	1029	7.14
9	A₁	675	649	16.42
10	A₁	490	471	6.62
11	A₁	203	195	0.01
12	A₂	1002	964	0.00
13	A₂	877	843	0.00
14	A₂	720	692	0.00
15	A₂	528	508	0.00
16	A₂	138	133	0.00
17	B₁	966	929	1.26
18	B₁	767	738	53.09
19	B₁	450	433	5.16
20	B₁	238	229	1.07
21	B₂	3241	3117	1.57
22	B₂	3216	3094	0.90
23	B₂	1656	1593	8.16
24	B₂	1467	1411	19.27
25	B₂	1266	1218	2.68
26	B₂	1153	1109	1.05
27	B₂	1048	1008	36.90
28	B₂	757	728	18.71
29	B₂	435	419	0.50
30	B₂	341	328	0.20

Atom	y (Å)	z (Å)
C1	0.700	-0.030
C2	-0.700	-0.030
C3	1.392	1.181
C4	-1.392	1.181
C5	0.697	2.385
C6	-0.697	2.385
Cl7	1.597	-1.512
Cl8	-1.597	-1.512
H9	2.482	1.161
H10	-2.482	1.161
H11	1.250	3.326
H12	-1.250	3.326

	C1	C2	C3	C4	C5	C6	Cl7	Cl8	H9	H10	H11	H12
C1		1.4001	1.3948	2.4174	2.4157	2.7904	1.7317	2.7330	2.1435	3.3978	3.4009	3.8815
C2	1.4001		2.4174	1.3948	2.7904	2.4157	2.7330	1.7317	3.3978	2.1435	3.8815	3.4009
C3	1.3948	2.4174		2.7842	1.3909	2.4113	2.7004	4.0227	1.0902	3.8743	2.1498	3.4033
C4	2.4174	1.3948	2.7842		2.4113	1.3909	4.0227	2.7004	3.8743	1.0902	3.4033	2.1498
C5	2.4157	2.7904	1.3909	2.4113		1.3935	3.9998	4.5220	2.1650	3.4066	1.0911	2.1621
C6	2.7904	2.4157	2.4113	1.3909	1.3935		4.5220	3.9998	3.4066	2.1650	2.1621	1.0911
Cl7	1.7317	2.7330	2.7004	4.0227	3.9998	4.5220		3.1931	2.8156	4.8764	4.8501	5.6131
Cl8	2.7330	1.7317	4.0227	2.7004	4.5220	3.9998	3.1931		4.8764	2.8156	5.6131	4.8501
H9	2.1435	3.3978	1.0902	3.8743	2.1650	3.4066	2.8156	4.8764		4.9643	2.4911	4.3147
H10	3.3978	2.1435	3.8743	1.0902	3.4066	2.1650	4.8764	2.8156	4.9643		4.3147	2.4911
H11	3.4009	3.8815	2.1498	3.4033	1.0911	2.1621	4.8501	5.6131	2.4911	4.3147		2.5001
H12	3.8815	3.4009	3.4033	2.1498	2.1621	1.0911	5.6131	4.8501	4.3147	2.4911	2.5001

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	119.746	C1	C2	Cl8	121.178
C1	C3	C5	120.260	C1	C3	H9	118.698
C2	C1	C3	119.746	C2	C1	Cl7	121.178
C2	C4	C6	120.260	C2	C4	H10	118.698
C3	C1	Cl7	119.076	C3	C5	C6	119.994
C3	C5	H11	119.536	C4	C2	Cl8	119.076
C4	C6	C5	119.994	C4	C6	H12	119.536
C5	C3	H9	121.042	C5	C6	H12	120.470
C6	C4	H10	121.042	C6	C5	H11	120.470

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

using model chemistry: HSEh1PBE/cc-pVDZ

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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Number	Element	Mulliken
1	C	-0.101
2	C	-0.101
3	C	0.101
4	C	0.101
5	C	0.007
6	C	0.007
7	Cl	-0.044
8	Cl	-0.044
9	H	0.021
10	H	0.021
11	H	0.016
12	H	0.016

<r²>	360.379
(<r²>)^1/2	18.984

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

using model chemistry: HSEh1PBE/cc-pVDZ

States and conformations

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