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	hartrees
Energy at 0K	-1149.589217
Energy at 298.15K	-1149.593367
HF Energy	-1148.503350
Nuclear repulsion energy	468.784984

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3294	3088	7.03
2	A₁	3278	3074	6.79
3	A₁	1676	1572	3.37
4	A₁	1548	1451	52.70
5	A₁	1305	1223	1.18
6	A₁	1211	1135	4.16
7	A₁	1195	1121	29.43
8	A₁	1087	1020	5.23
9	A₁	685	642	13.31
10	A₁	494	463	4.96
11	A₁	207	194	0.00
12	A₂	937	878	0.00
13	A₂	859	805	0.00
14	A₂	550	516	0.00
15	A₂	499	468	0.00
16	A₂	138	129	0.00
17	B₁	931	873	1.24
18	B₁	770	722	58.01
19	B₁	440	412	3.35
20	B₁	236	222	0.64
21	B₂	3289	3084	5.70
22	B₂	3266	3062	1.14
23	B₂	1692	1587	6.22
24	B₂	1510	1415	16.85
25	B₂	1315	1233	3.05
26	B₂	1187	1113	2.82
27	B₂	1070	1003	33.50
28	B₂	771	723	12.71
29	B₂	439	412	0.34
30	B₂	345	324	0.08

Atom	y (Å)	z (Å)
C1	0.699	-0.032
C2	-0.699	-0.032
C3	1.391	1.180
C4	-1.391	1.180
C5	0.697	2.386
C6	-0.697	2.386
Cl7	1.609	-1.511
Cl8	-1.609	-1.511
H9	2.472	1.164
H10	-2.472	1.164
H11	1.245	3.318
H12	-1.245	3.318

	C1	C2	C3	C4	C5	C6	Cl7	Cl8	H9	H10	H11	H12
C1		1.3980	1.3962	2.4166	2.4181	2.7923	1.7364	2.7409	2.1388	3.3891	3.3946	3.8736
C2	1.3980		2.4166	1.3962	2.7923	2.4181	2.7409	1.7364	3.3891	2.1388	3.8736	3.3946
C3	1.3962	2.4166		2.7829	1.3912	2.4118	2.7003	4.0304	1.0806	3.8634	2.1429	3.3946
C4	2.4166	1.3962	2.7829		2.4118	1.3912	4.0304	2.7003	3.8634	1.0806	3.3946	2.1429
C5	2.4181	2.7923	1.3912	2.4118		1.3947	4.0023	4.5283	2.1546	3.3967	1.0813	2.1547
C6	2.7923	2.4181	2.4118	1.3912	1.3947		4.5283	4.0023	3.3967	2.1546	2.1547	1.0813
Cl7	1.7364	2.7409	2.7003	4.0304	4.0023	4.5283		3.2171	2.8112	4.8794	4.8431	5.6096
Cl8	2.7409	1.7364	4.0304	2.7003	4.5283	4.0023	3.2171		4.8794	2.8112	5.6096	4.8431
H9	2.1388	3.3891	1.0806	3.8634	2.1546	3.3967	2.8112	4.8794		4.9439	2.4789	4.2963
H10	3.3891	2.1388	3.8634	1.0806	3.3967	2.1546	4.8794	2.8112	4.9439		4.2963	2.4789
H11	3.3946	3.8736	2.1429	3.3946	1.0813	2.1547	4.8431	5.6096	2.4789	4.2963		2.4906
H12	3.8736	3.3946	3.3946	2.1429	2.1547	1.0813	5.6096	4.8431	4.2963	2.4789	2.4906

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	119.732	C1	C2	Cl8	121.587
C1	C3	C5	120.340	C1	C3	H9	118.876
C2	C1	C3	119.732	C2	C1	Cl7	121.587
C2	C4	C6	120.340	C2	C4	H10	118.876
C3	C1	Cl7	118.680	C3	C5	C6	119.928
C3	C5	H11	119.627	C4	C2	Cl8	118.680
C4	C6	C5	119.928	C4	C6	H12	119.627
C5	C3	H9	120.784	C5	C6	H12	120.445
C6	C4	H10	120.784	C6	C5	H11	120.445

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)