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	hartrees
Energy at 0K	-1151.317985
Energy at 298.15K	-1151.321989
HF Energy	-1151.317985
Nuclear repulsion energy	464.857008

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3138	3120	3.76
2	A₁	3120	3103	10.38
3	A₁	1545	1537	2.50
4	A₁	1437	1429	54.55
5	A₁	1295	1288	0.58
6	A₁	1157	1150	0.41
7	A₁	1100	1094	50.34
8	A₁	1025	1020	8.97
9	A₁	646	643	15.16
10	A₁	460	457	8.73
11	A₁	192	191	0.01
12	A₂	933	928	0.00
13	A₂	844	839	0.00
14	A₂	689	685	0.00
15	A₂	507	504	0.00
16	A₂	132	131	0.00
17	B₁	902	897	1.43
18	B₁	746	742	43.13
19	B₁	435	433	2.24
20	B₁	228	226	0.27
21	B₂	3134	3117	4.67
22	B₂	3106	3089	1.80
23	B₂	1547	1539	6.31
24	B₂	1412	1405	15.61
25	B₂	1237	1230	3.45
26	B₂	1115	1109	1.60
27	B₂	999	994	36.23
28	B₂	718	714	21.95
29	B₂	414	411	1.22
30	B₂	326	324	0.27

Atom	y (Å)	z (Å)
C1	0.704	-0.026
C2	-0.704	-0.026
C3	1.403	1.192
C4	-1.403	1.192
C5	0.701	2.404
C6	-0.701	2.404
Cl7	1.621	-1.526
Cl8	-1.621	-1.526
H9	2.492	1.174
H10	-2.492	1.174
H11	1.254	3.345
H12	-1.254	3.345

	C1	C2	C3	C4	C5	C6	Cl7	Cl8	H9	H10	H11	H12
C1		1.4089	1.4041	2.4339	2.4300	2.8073	1.7583	2.7676	2.1529	3.4143	3.4149	3.8982
C2	1.4089		2.4339	1.4041	2.8073	2.4300	2.7676	1.7583	3.4143	2.1529	3.8982	3.4149
C3	1.4041	2.4339		2.8055	1.4003	2.4281	2.7274	4.0662	1.0896	3.8950	2.1573	3.4193
C4	2.4339	1.4041	2.8055		2.4281	1.4003	4.0662	2.7274	3.8950	1.0896	3.4193	2.1573
C5	2.4300	2.8073	1.4003	2.4281		1.4025	4.0367	4.5653	2.1730	3.4224	1.0909	2.1699
C6	2.8073	2.4300	2.4281	1.4003	1.4025		4.5653	4.0367	3.4224	2.1730	2.1699	1.0909
Cl7	1.7583	2.7676	2.7274	4.0662	4.0367	4.5653		3.2420	2.8370	4.9202	4.8847	5.6562
Cl8	2.7676	1.7583	4.0662	2.7274	4.5653	4.0367	3.2420		4.9202	2.8370	5.6562	4.8847
H9	2.1529	3.4143	1.0896	3.8950	2.1730	3.4224	2.8370	4.9202		4.9844	2.4991	4.3301
H10	3.4143	2.1529	3.8950	1.0896	3.4224	2.1730	4.9202	2.8370	4.9844		4.3301	2.4991
H11	3.4149	3.8982	2.1573	3.4193	1.0909	2.1699	4.8847	5.6562	2.4991	4.3301		2.5086
H12	3.8982	3.4149	3.4193	2.1573	2.1699	1.0909	5.6562	4.8847	4.3301	2.4991	2.5086

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	119.824	C1	C2	Cl8	121.418
C1	C3	C5	120.113	C1	C3	H9	118.842
C2	C1	C3	119.824	C2	C1	Cl7	121.418
C2	C4	C6	120.113	C2	C4	H10	118.842
C3	C1	Cl7	118.757	C3	C5	C6	120.063
C3	C5	H11	119.476	C4	C2	Cl8	118.757
C4	C6	C5	120.063	C4	C6	H12	119.476
C5	C3	H9	121.045	C5	C6	H12	120.461
C6	C4	H10	121.045	C6	C5	H11	120.461

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

using model chemistry: BLYP/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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Number	Element	Mulliken
1	C	0.169
2	C	0.169
3	C	-0.122
4	C	-0.122
5	C	-0.082
6	C	-0.082
7	Cl	-0.158
8	Cl	-0.158
9	H	0.104
10	H	0.104
11	H	0.088
12	H	0.088

<r²>	366.982
(<r²>)^1/2	19.157

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

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

States and conformations

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