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	hartrees
Energy at 0K	-1149.819997
Energy at 298.15K	-1149.824298
HF Energy	-1148.526541
Nuclear repulsion energy	470.085875

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3269	3096	3.03
2	A₁	3253	3081	3.45
3	A₁	1653	1566	3.54
4	A₁	1525	1444	59.21
5	A₁	1285	1217	0.89
6	A₁	1198	1135	12.25
7	A₁	1187	1124	21.38
8	A₁	1076	1019	4.73
9	A₁	679	643	13.55
10	A₁	492	466	4.54
11	A₁	205	194	0.00
12	A₂	990	938	0.00
13	A₂	895	848	0.00
14	A₂	701	664	0.00
15	A₂	525	497	0.00
16	A₂	141	133	0.00
17	B₁	967	916	1.49
18	B₁	788	746	52.18
19	B₁	453	429	3.14
20	B₁	240	228	0.49
21	B₂	3264	3091	0.97
22	B₂	3240	3069	0.85
23	B₂	1663	1575	5.21
24	B₂	1487	1408	18.55
25	B₂	1298	1229	3.00
26	B₂	1173	1111	2.52
27	B₂	1060	1004	32.22
28	B₂	766	725	13.44
29	B₂	438	415	0.43
30	B₂	343	325	0.04

Atom	y (Å)	z (Å)
C1	0.697	-0.031
C2	-0.697	-0.031
C3	1.390	1.178
C4	-1.390	1.178
C5	0.696	2.381
C6	-0.696	2.381
Cl7	1.598	-1.508
Cl8	-1.598	-1.508
H9	2.472	1.159
H10	-2.472	1.159
H11	1.244	3.314
H12	-1.244	3.314

	C1	C2	C3	C4	C5	C6	Cl7	Cl8	H9	H10	H11	H12
C1		1.3947	1.3931	2.4123	2.4113	2.7850	1.7307	2.7302	2.1367	3.3855	3.3894	3.8676
C2	1.3947		2.4123	1.3931	2.7850	2.4113	2.7302	1.7307	3.3855	2.1367	3.8676	3.3894
C3	1.3931	2.4123		2.7809	1.3889	2.4084	2.6941	4.0185	1.0819	3.8627	2.1415	3.3920
C4	2.4123	1.3931	2.7809		2.4084	1.3889	4.0185	2.6941	3.8627	1.0819	3.3920	2.1415
C5	2.4113	2.7850	1.3889	2.4084		1.3922	3.9922	4.5154	2.1556	3.3957	1.0826	2.1532
C6	2.7850	2.4113	2.4084	1.3889	1.3922		4.5154	3.9922	3.3957	2.1556	2.1532	1.0826
Cl7	1.7307	2.7302	2.6941	4.0185	3.9922	4.5154		3.1968	2.8068	4.8667	4.8356	5.5980
Cl8	2.7302	1.7307	4.0185	2.6941	4.5154	3.9922	3.1968		4.8667	2.8068	5.5980	4.8356
H9	2.1367	3.3855	1.0819	3.8627	2.1556	3.3957	2.8068	4.8667		4.9444	2.4806	4.2961
H10	3.3855	2.1367	3.8627	1.0819	3.3957	2.1556	4.8667	2.8068	4.9444		4.2961	2.4806
H11	3.3894	3.8676	2.1415	3.3920	1.0826	2.1532	4.8356	5.5980	2.4806	4.2961		2.4883
H12	3.8676	3.3894	3.3920	2.1415	2.1532	1.0826	5.5980	4.8356	4.2961	2.4806	2.4883

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	119.836	C1	C2	Cl8	121.376
C1	C3	C5	120.170	C1	C3	H9	118.844
C2	C1	C3	119.836	C2	C1	Cl7	121.376
C2	C4	C6	120.170	C2	C4	H10	118.844
C3	C1	Cl7	118.789	C3	C5	C6	119.994
C3	C5	H11	119.593	C4	C2	Cl8	118.789
C4	C6	C5	119.994	C4	C6	H12	119.593
C5	C3	H9	120.986	C5	C6	H12	120.413
C6	C4	H10	120.986	C6	C5	H11	120.413

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

using model chemistry: CCD/6-31G(2df,p)

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(2df,p)

States and conformations

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