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	hartrees
Energy at 0K	-1149.556972
Energy at 298.15K	-1149.561089
HF Energy	-1148.495710
Nuclear repulsion energy	468.563681

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3245	3072	5.82
2	A₁	3230	3057	6.46
3	A₁	1673	1583	3.37
4	A₁	1542	1459	57.81
5	A₁	1302	1232	0.88
6	A₁	1213	1148	2.38
7	A₁	1194	1130	28.30
8	A₁	1087	1029	5.97
9	A₁	686	649	13.82
10	A₁	494	467	5.16
11	A₁	208	197	0.00
12	A₂	914	865	0.00
13	A₂	847	802	0.00
14	A₂	558	528	0.00
15	A₂	502	475	0.00
16	A₂	138	131	0.00
17	B₁	912	864	1.39
18	B₁	764	723	66.31
19	B₁	441	417	3.76
20	B₁	237	224	0.74
21	B₂	3241	3067	4.29
22	B₂	3218	3046	1.17
23	B₂	1687	1597	5.75
24	B₂	1502	1422	19.24
25	B₂	1311	1241	2.45
26	B₂	1186	1123	2.26
27	B₂	1070	1013	34.01
28	B₂	771	730	13.18
29	B₂	439	416	0.34
30	B₂	346	327	0.09

Atom	y (Å)	z (Å)
C1	0.699	-0.032
C2	-0.699	-0.032
C3	1.392	1.181
C4	-1.392	1.181
C5	0.698	2.387
C6	-0.698	2.387
Cl7	1.608	-1.512
Cl8	-1.608	-1.512
H9	2.479	1.164
H10	-2.479	1.164
H11	1.249	3.324
H12	-1.249	3.324

	C1	C2	C3	C4	C5	C6	Cl7	Cl8	H9	H10	H11	H12
C1		1.3980	1.3964	2.4172	2.4182	2.7925	1.7371	2.7411	2.1445	3.3956	3.4007	3.8802
C2	1.3980		2.4172	1.3964	2.7925	2.4182	2.7411	1.7371	3.3956	2.1445	3.8802	3.4007
C3	1.3964	2.4172		2.7846	1.3917	2.4129	2.7010	4.0313	1.0870	3.8715	2.1487	3.4016
C4	2.4172	1.3964	2.7846		2.4129	1.3917	4.0313	2.7010	3.8715	1.0870	3.4016	2.1487
C5	2.4182	2.7925	1.3917	2.4129		1.3953	4.0033	4.5292	2.1606	3.4039	1.0877	2.1605
C6	2.7925	2.4182	2.4129	1.3917	1.3953		4.5292	4.0033	3.4039	2.1606	2.1605	1.0877
Cl7	1.7371	2.7411	2.7010	4.0313	4.0033	4.5292		3.2161	2.8142	4.8853	4.8496	5.6169
Cl8	2.7411	1.7371	4.0313	2.7010	4.5292	4.0033	3.2161		4.8853	2.8142	5.6169	4.8496
H9	2.1445	3.3956	1.0870	3.8715	2.1606	3.4039	2.8142	4.8853		4.9583	2.4861	4.3085
H10	3.3956	2.1445	3.8715	1.0870	3.4039	2.1606	4.8853	2.8142	4.9583		4.3085	2.4861
H11	3.4007	3.8802	2.1487	3.4016	1.0877	2.1605	4.8496	5.6169	2.4861	4.3085		2.4973
H12	3.8802	3.4007	3.4016	2.1487	2.1605	1.0877	5.6169	4.8496	4.3085	2.4861	2.4973

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	119.768	C1	C2	Cl8	121.555
C1	C3	C5	120.291	C1	C3	H9	118.902
C2	C1	C3	119.768	C2	C1	Cl7	121.555
C2	C4	C6	120.291	C2	C4	H10	118.902
C3	C1	Cl7	118.677	C3	C5	C6	119.941
C3	C5	H11	119.624	C4	C2	Cl8	118.677
C4	C6	C5	119.941	C4	C6	H12	119.624
C5	C3	H9	120.807	C5	C6	H12	120.435
C6	C4	H10	120.807	C6	C5	H11	120.435

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

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

States and conformations

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