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	hartrees
Energy at 0K	-1150.896138
Energy at 298.15K	-1150.900402
HF Energy	-1150.896138
Nuclear repulsion energy	469.912094

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3250	3102	3.53
2	A₁	3235	3087	5.92
3	A₁	1649	1574	4.35
4	A₁	1511	1442	67.95
5	A₁	1363	1300	1.26
6	A₁	1190	1136	4.01
7	A₁	1171	1117	43.70
8	A₁	1075	1026	7.19
9	A₁	678	647	16.86
10	A₁	491	469	6.91
11	A₁	205	196	0.01
12	A₂	995	950	0.00
13	A₂	872	833	0.00
14	A₂	712	679	0.00
15	A₂	526	502	0.00
16	A₂	139	133	0.00
17	B₁	958	914	1.99
18	B₁	768	733	59.79
19	B₁	451	430	4.30
20	B₁	239	228	0.78
21	B₂	3246	3097	2.46
22	B₂	3222	3075	1.08
23	B₂	1659	1583	7.97
24	B₂	1479	1411	20.17
25	B₂	1283	1225	2.95
26	B₂	1164	1111	1.78
27	B₂	1050	1002	39.59
28	B₂	760	725	18.51
29	B₂	438	418	0.49
30	B₂	343	328	0.21

Atom	y (Å)	z (Å)
C1	0.699	-0.031
C2	-0.699	-0.031
C3	1.390	1.179
C4	-1.390	1.179
C5	0.696	2.382
C6	-0.696	2.382
Cl7	1.598	-1.509
Cl8	-1.598	-1.509
H9	2.475	1.161
H10	-2.475	1.161
H11	1.246	3.317
H12	-1.246	3.317

	C1	C2	C3	C4	C5	C6	Cl7	Cl8	H9	H10	H11	H12
C1		1.3982	1.3932	2.4143	2.4125	2.7867	1.7303	2.7317	2.1382	3.3900	3.3923	3.8719
C2	1.3982		2.4143	1.3932	2.7867	2.4125	2.7317	1.7303	3.3900	2.1382	3.8719	3.3923
C3	1.3932	2.4143		2.7806	1.3889	2.4080	2.6963	4.0194	1.0845	3.8650	2.1432	3.3943
C4	2.4143	1.3932	2.7806		2.4080	1.3889	4.0194	2.6963	3.8650	1.0845	3.3943	2.1432
C5	2.4125	2.7867	1.3889	2.4080		1.3916	3.9943	4.5168	2.1576	3.3975	1.0852	2.1552
C6	2.7867	2.4125	2.4080	1.3889	1.3916		4.5168	3.9943	3.3975	2.1576	2.1552	1.0852
Cl7	1.7303	2.7317	2.6963	4.0194	3.9943	4.5168		3.1956	2.8103	4.8697	4.8395	5.6020
Cl8	2.7317	1.7303	4.0194	2.6963	4.5168	3.9943	3.1956		4.8697	2.8103	5.6020	4.8395
H9	2.1382	3.3900	1.0845	3.8650	2.1576	3.3975	2.8103	4.8697		4.9492	2.4821	4.3003
H10	3.3900	2.1382	3.8650	1.0845	3.3975	2.1576	4.8697	2.8103	4.9492		4.3003	2.4821
H11	3.3923	3.8719	2.1432	3.3943	1.0852	2.1552	4.8395	5.6020	2.4821	4.3003		2.4916
H12	3.8719	3.3923	3.3943	2.1432	2.1552	1.0852	5.6020	4.8395	4.3003	2.4821	2.4916

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	119.743	C1	C2	Cl8	121.291
C1	C3	C5	120.255	C1	C3	H9	118.775
C2	C1	C3	119.743	C2	C1	Cl7	121.291
C2	C4	C6	120.255	C2	C4	H10	118.775
C3	C1	Cl7	118.966	C3	C5	C6	120.001
C3	C5	H11	119.547	C4	C2	Cl8	118.966
C4	C6	C5	120.001	C4	C6	H12	119.547
C5	C3	H9	120.969	C5	C6	H12	120.451
C6	C4	H10	120.969	C6	C5	H11	120.451

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

using model chemistry: HSEh1PBE/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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Number	Element	Mulliken
1	C	-0.124
2	C	-0.124
3	C	-0.094
4	C	-0.094
5	C	-0.118
6	C	-0.118
7	Cl	0.044
8	Cl	0.044
9	H	0.154
10	H	0.154
11	H	0.139
12	H	0.139

<r²>	359.508
(<r²>)^1/2	18.961

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

using model chemistry: HSEh1PBE/6-31G**

States and conformations

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