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	hartrees
Energy at 0K	-1149.604223
Energy at 298.15K
HF Energy	-1148.509461
Nuclear repulsion energy	468.467805

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3289	3099	6.78
2	A₁	3274	3085	5.74
3	A₁	1668	1571	4.68
4	A₁	1541	1452	51.59
5	A₁	1306	1231	1.53
6	A₁	1207	1137	2.55
7	A₁	1191	1122	32.40
8	A₁	1082	1020	7.67
9	A₁	684	644	13.01
10	A₁	493	465	4.92
11	A₁	206	194	0.01
12	A₂	911	859	0.00
13	A₂	840	792	0.00
14	A₂	451	425	0.00
15	A₂	125	118	0.00
16	A₂	726i	684i	0.00
17	B₁	915	862	0.92
18	B₁	759	715	77.09
19	B₁	409	386	4.17
20	B₁	222	209	1.56
21	B₂	3284	3094	5.13
22	B₂	3262	3073	1.01
23	B₂	1684	1586	8.59
24	B₂	1503	1416	16.24
25	B₂	1312	1236	3.16
26	B₂	1182	1114	2.29
27	B₂	1071	1009	34.58
28	B₂	770	725	12.77
29	B₂	436	410	0.32
30	B₂	343	323	0.16

Atom	y (Å)	z (Å)
C1	0.700	-0.033
C2	-0.700	-0.033
C3	1.393	1.181
C4	-1.393	1.181
C5	0.698	2.388
C6	-0.698	2.388
Cl7	1.609	-1.512
Cl8	-1.609	-1.512
H9	2.474	1.165
H10	-2.474	1.165
H11	1.247	3.321
H12	-1.247	3.321

	C1	C2	C3	C4	C5	C6	Cl7	Cl8	H9	H10	H11	H12
C1		1.3991	1.3978	2.4189	2.4212	2.7958	1.7364	2.7420	2.1410	3.3920	3.3980	3.8775
C2	1.3991		2.4189	1.3978	2.7958	2.4212	2.7420	1.7364	3.3920	2.1410	3.8775	3.3980
C3	1.3978	2.4189		2.7856	1.3929	2.4147	2.7013	4.0328	1.0811	3.8666	2.1448	3.3980
C4	2.4189	1.3978	2.7856		2.4147	1.3929	4.0328	2.7013	3.8666	1.0811	3.3980	2.1448
C5	2.4212	2.7958	1.3929	2.4147		1.3967	4.0051	4.5317	2.1559	3.3998	1.0817	2.1571
C6	2.7958	2.4212	2.4147	1.3929	1.3967		4.5317	4.0051	3.3998	2.1559	2.1571	1.0817
Cl7	1.7364	2.7420	2.7013	4.0328	4.0051	4.5317		3.2189	2.8131	4.8826	4.8461	5.6134
Cl8	2.7420	1.7364	4.0328	2.7013	4.5317	4.0051	3.2189		4.8826	2.8131	5.6134	4.8461
H9	2.1410	3.3920	1.0811	3.8666	2.1559	3.3998	2.8131	4.8826		4.9476	2.4802	4.2998
H10	3.3920	2.1410	3.8666	1.0811	3.3998	2.1559	4.8826	2.8131	4.9476		4.2998	2.4802
H11	3.3980	3.8775	2.1448	3.3980	1.0817	2.1571	4.8461	5.6134	2.4802	4.2998		2.4935
H12	3.8775	3.3980	3.3980	2.1448	2.1571	1.0817	5.6134	4.8461	4.2998	2.4802	2.4935

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	119.733	C1	C2	Cl8	121.603
C1	C3	C5	120.363	C1	C3	H9	118.908
C2	C1	C3	119.733	C2	C1	Cl7	121.603
C2	C4	C6	120.363	C2	C4	H10	118.908
C3	C1	Cl7	118.664	C3	C5	C6	119.904
C3	C5	H11	119.634	C4	C2	Cl8	118.664
C4	C6	C5	119.904	C4	C6	H12	119.634
C5	C3	H9	120.728	C5	C6	H12	120.462
C6	C4	H10	120.728	C6	C5	H11	120.462

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

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

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/6-31+G**

States and conformations

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