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	hartrees
Energy at 0K	-1149.608614
Energy at 298.15K	-1149.612746
HF Energy	-1148.553812
Nuclear repulsion energy	466.364984

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3255	3100	4.82
2	A₁	3240	3086	3.06
3	A₁	1623	1546	3.99
4	A₁	1495	1424	45.13
5	A₁	1460	1391	18.45
6	A₁	1176	1120	16.79
7	A₁	1167	1111	22.61
8	A₁	1059	1009	6.22
9	A₁	666	635	13.53
10	A₁	486	463	4.83
11	A₁	200	191	0.01
12	A₂	948	903	0.00
13	A₂	853	812	0.00
14	A₂	596	568	0.00
15	A₂	503	479	0.00
16	A₂	136	129	0.00
17	B₁	931	887	0.98
18	B₁	759	723	56.59
19	B₁	436	415	4.57
20	B₁	233	222	1.15
21	B₂	3249	3095	1.94
22	B₂	3228	3074	0.69
23	B₂	1634	1556	7.01
24	B₂	1456	1387	17.23
25	B₂	1267	1207	3.13
26	B₂	1150	1096	1.69
27	B₂	1044	995	34.00
28	B₂	755	719	14.17
29	B₂	431	410	0.26
30	B₂	337	321	0.08

Atom	y (Å)	z (Å)
C1	0.705	-0.035
C2	-0.705	-0.035
C3	1.402	1.186
C4	-1.402	1.186
C5	0.702	2.401
C6	-0.702	2.401
Cl7	1.610	-1.519
Cl8	-1.610	-1.519
H9	2.496	1.167
H10	-2.496	1.167
H11	1.258	3.344
H12	-1.258	3.344

	C1	C2	C3	C4	C5	C6	Cl7	Cl8	H9	H10	H11	H12
C1		1.4109	1.4063	2.4361	2.4366	2.8141	1.7377	2.7500	2.1569	3.4198	3.4244	3.9084
C2	1.4109		2.4361	1.4063	2.8141	2.4366	2.7500	1.7377	3.4198	2.1569	3.9084	3.4244
C3	1.4063	2.4361		2.8046	1.4022	2.4304	2.7132	4.0487	1.0938	3.8983	2.1630	3.4255
C4	2.4361	1.4063	2.8046		2.4304	1.4022	4.0487	2.7132	3.8983	1.0938	3.4255	2.1630
C5	2.4366	2.8141	1.4022	2.4304		1.4050	4.0240	4.5515	2.1770	3.4282	1.0944	2.1753
C6	2.8141	2.4366	2.4304	1.4022	1.4050		4.5515	4.0240	3.4282	2.1770	2.1753	1.0944
Cl7	1.7377	2.7500	2.7132	4.0487	4.0240	4.5515		3.2199	2.8286	4.9066	4.8761	5.6459
Cl8	2.7500	1.7377	4.0487	2.7132	4.5515	4.0240	3.2199		4.9066	2.8286	5.6459	4.8761
H9	2.1569	3.4198	1.0938	3.8983	2.1770	3.4282	2.8286	4.9066		4.9919	2.5045	4.3394
H10	3.4198	2.1569	3.8983	1.0938	3.4282	2.1770	4.9066	2.8286	4.9919		4.3394	2.5045
H11	3.4244	3.9084	2.1630	3.4255	1.0944	2.1753	4.8761	5.6459	2.5045	4.3394		2.5156
H12	3.9084	3.4244	3.4255	2.1630	2.1753	1.0944	5.6459	4.8761	4.3394	2.5045	2.5156

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	119.707	C1	C2	Cl8	121.366
C1	C3	C5	120.353	C1	C3	H9	118.716
C2	C1	C3	119.707	C2	C1	Cl7	121.366
C2	C4	C6	120.353	C2	C4	H10	118.716
C3	C1	Cl7	118.927	C3	C5	C6	119.940
C3	C5	H11	119.567	C4	C2	Cl8	118.927
C4	C6	C5	119.940	C4	C6	H12	119.567
C5	C3	H9	120.931	C5	C6	H12	120.493
C6	C4	H10	120.931	C6	C5	H11	120.493

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

using model chemistry: MP2/cc-pVDZ

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/cc-pVDZ

States and conformations

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