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	hartrees
Energy at 0K	-1143.845901
Energy at 298.15K	-1143.850093
HF Energy	-1143.052869
Nuclear repulsion energy	465.652344

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3232	3075	5.01
2	A₁	3214	3058	2.87
3	A₁	1572	1495	0.25
4	A₁	1503	1430	52.10
5	A₁	1307	1243	0.22
6	A₁	1244	1183	0.01
7	A₁	1149	1094	34.39
8	A₁	1046	995	6.64
9	A₁	689	656	12.00
10	A₁	478	455	8.26
11	A₁	204	194	0.00
12	A₂	928	883	0.00
13	A₂	850	808	0.00
14	A₂	663	630	0.00
15	A₂	519	493	0.00
16	A₂	140	133	0.00
17	B₁	918	874	2.15
18	B₁	762	724	82.32
19	B₁	449	427	6.29
20	B₁	236	224	1.40
21	B₂	3224	3067	1.42
22	B₂	3203	3047	0.98
23	B₂	1583	1506	3.21
24	B₂	1483	1411	17.14
25	B₂	1317	1253	5.60
26	B₂	1163	1106	4.75
27	B₂	1086	1034	29.18
28	B₂	766	728	16.64
29	B₂	437	416	0.71
30	B₂	344	327	0.36

Atom	y (Å)	z (Å)
C1	0.703	-0.027
C2	-0.703	-0.027
C3	1.404	1.191
C4	-1.404	1.191
C5	0.703	2.407
C6	-0.703	2.407
Cl7	1.609	-1.526
Cl8	-1.609	-1.526
H9	2.489	1.172
H10	-2.489	1.172
H11	1.253	3.343
H12	-1.253	3.343

	C1	C2	C3	C4	C5	C6	Cl7	Cl8	H9	H10	H11	H12
C1		1.4053	1.4050	2.4328	2.4338	2.8107	1.7518	2.7554	2.1514	3.4094	3.4149	3.8967
C2	1.4053		2.4328	1.4050	2.8107	2.4338	2.7554	1.7518	3.4094	2.1514	3.8967	3.4149
C3	1.4050	2.4328		2.8070	1.4032	2.4326	2.7245	4.0568	1.0858	3.8927	2.1577	3.4193
C4	2.4328	1.4050	2.8070		2.4326	1.4032	4.0568	2.7245	3.8927	1.0858	3.4193	2.1577
C5	2.4338	2.8107	1.4032	2.4326		1.4068	4.0357	4.5623	2.1712	3.4230	1.0860	2.1692
C6	2.8107	2.4338	2.4326	1.4032	1.4068		4.5623	4.0357	3.4230	2.1712	2.1692	1.0860
Cl7	1.7518	2.7554	2.7245	4.0568	4.0357	4.5623		3.2186	2.8375	4.9066	4.8822	5.6483
Cl8	2.7554	1.7518	4.0568	2.7245	4.5623	4.0357	3.2186		4.9066	2.8375	5.6483	4.8822
H9	2.1514	3.4094	1.0858	3.8927	2.1712	3.4230	2.8375	4.9066		4.9782	2.4985	4.3267
H10	3.4094	2.1514	3.8927	1.0858	3.4230	2.1712	4.9066	2.8375	4.9782		4.3267	2.4985
H11	3.4149	3.8967	2.1577	3.4193	1.0860	2.1692	4.8822	5.6483	2.4985	4.3267		2.5065
H12	3.8967	3.4149	3.4193	2.1577	2.1692	1.0860	5.6483	4.8822	4.3267	2.4985	2.5065

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	119.923	C1	C2	Cl8	121.168
C1	C3	C5	120.147	C1	C3	H9	118.922
C2	C1	C3	119.923	C2	C1	Cl7	121.168
C2	C4	C6	120.147	C2	C4	H10	118.922
C3	C1	Cl7	118.909	C3	C5	C6	119.930
C3	C5	H11	119.649	C4	C2	Cl8	118.909
C4	C6	C5	119.930	C4	C6	H12	119.649
C5	C3	H9	120.931	C5	C6	H12	120.421
C6	C4	H10	120.931	C6	C5	H11	120.421

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

using model chemistry: MP2/3-21G*

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: MP2/3-21G*

States and conformations

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