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	hartrees
Energy at 0K	-1151.560639
Energy at 298.15K	-1151.564804
HF Energy	-1151.560639
Nuclear repulsion energy	467.915755

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3213	3101	2.83
2	A₁	3197	3086	6.50
3	A₁	1610	1554	3.30
4	A₁	1493	1442	63.74
5	A₁	1308	1263	0.71
6	A₁	1192	1151	0.34
7	A₁	1139	1100	47.73
8	A₁	1059	1023	12.29
9	A₁	673	650	16.45
10	A₁	476	460	9.21
11	A₁	200	193	0.02
12	A₂	954	921	0.00
13	A₂	860	831	0.00
14	A₂	643	621	0.00
15	A₂	509	492	0.00
16	A₂	135	130	0.00
17	B₁	945	912	1.15
18	B₁	764	738	65.20
19	B₁	445	429	6.03
20	B₁	233	225	1.42
21	B₂	3209	3098	2.10
22	B₂	3185	3074	1.38
23	B₂	1617	1561	8.05
24	B₂	1468	1417	18.43
25	B₂	1283	1238	3.47
26	B₂	1153	1113	0.97
27	B₂	1046	1010	39.38
28	B₂	748	722	22.02
29	B₂	427	413	0.93
30	B₂	338	326	0.44

Atom	y (Å)	z (Å)
C1	0.697	-0.022
C2	-0.697	-0.022
C3	1.389	1.185
C4	-1.389	1.185
C5	0.695	2.388
C6	-0.695	2.388
Cl7	1.613	-1.517
Cl8	-1.613	-1.517
H9	2.471	1.169
H10	-2.471	1.169
H11	1.244	3.321
H12	-1.244	3.321

	C1	C2	C3	C4	C5	C6	Cl7	Cl8	H9	H10	H11	H12
C1		1.3949	1.3917	2.4110	2.4099	2.7835	1.7534	2.7522	2.1364	3.3849	3.3873	3.8658
C2	1.3949		2.4110	1.3917	2.7835	2.4099	2.7522	1.7534	3.3849	2.1364	3.8658	3.3873
C3	1.3917	2.4110		2.7788	1.3883	2.4068	2.7121	4.0398	1.0815	3.8602	2.1404	3.3905
C4	2.4110	1.3917	2.7788		2.4068	1.3883	4.0398	2.7121	3.8602	1.0815	3.3905	2.1404
C5	2.4099	2.7835	1.3883	2.4068		1.3910	4.0116	4.5365	2.1532	3.3926	1.0824	2.1523
C6	2.7835	2.4099	2.4068	1.3883	1.3910		4.5365	4.0116	3.3926	2.1532	2.1523	1.0824
Cl7	1.7534	2.7522	2.7121	4.0398	4.0116	4.5365		3.2261	2.8204	4.8884	4.8523	5.6189
Cl8	2.7522	1.7534	4.0398	2.7121	4.5365	4.0116	3.2261		4.8884	2.8204	5.6189	4.8523
H9	2.1364	3.3849	1.0815	3.8602	2.1532	3.3926	2.8204	4.8884		4.9416	2.4766	4.2929
H10	3.3849	2.1364	3.8602	1.0815	3.3926	2.1532	4.8884	2.8204	4.9416		4.2929	2.4766
H11	3.3873	3.8658	2.1404	3.3905	1.0824	2.1523	4.8523	5.6189	2.4766	4.2929		2.4882
H12	3.8658	3.3873	3.3905	2.1404	2.1523	1.0824	5.6189	4.8523	4.2929	2.4766	2.4882

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	119.816	C1	C2	Cl8	121.479
C1	C3	C5	120.193	C1	C3	H9	118.970
C2	C1	C3	119.816	C2	C1	Cl7	121.479
C2	C4	C6	120.193	C2	C4	H10	118.970
C3	C1	Cl7	118.705	C3	C5	C6	119.991
C3	C5	H11	119.556	C4	C2	Cl8	118.705
C4	C6	C5	119.991	C4	C6	H12	119.556
C5	C3	H9	120.837	C5	C6	H12	120.454
C6	C4	H10	120.837	C6	C5	H11	120.454

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

using model chemistry: B3LYP/TZVP

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	-0.060
2	C	-0.060
3	C	-0.045
4	C	-0.045
5	C	-0.103
6	C	-0.103
7	Cl	-0.053
8	Cl	-0.053
9	H	0.136
10	H	0.136
11	H	0.124
12	H	0.124

<r²>	363.323
(<r²>)^1/2	19.061

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

using model chemistry: B3LYP/TZVP

States and conformations

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