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	hartrees
Energy at 0K	-1149.570007
Energy at 298.15K
HF Energy	-1148.513738
Nuclear repulsion energy	452.135678

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3288	3092	2.93
2	A₁	3286	3091	0.12
3	A₁	3263	3069	3.77
4	A₁	1640	1543	23.83
5	A₁	1460	1373	11.78
6	A₁	1168	1099	20.18
7	A₁	1113	1047	15.18
8	A₁	1015	955	4.26
9	A₁	679	639	1.45
10	A₁	409	384	2.18
11	A₁	199	187	0.30
12	A₂	842	792	0.00
13	A₂	379	356	0.00
14	A₂	187	176	0.00
15	B₁	891	838	0.38
16	B₁	811	763	1.97
17	B₁	743	699	81.41
18	B₁	396	372	4.32
19	B₁	156	147	0.34
20	B₁	420i	395i	0.13
21	B₂	3282	3087	0.66
22	B₂	1644	1547	79.81
23	B₂	1516	1426	58.04
24	B₂	1465	1378	1.36
25	B₂	1318	1240	2.63
26	B₂	1211	1139	0.65
27	B₂	1130	1063	23.12
28	B₂	814	765	70.77
29	B₂	436	410	2.60
30	B₂	371	349	0.31

Atom	y (Å)	z (Å)
C1	0.000	2.079
C2	1.216	1.391
C3	-1.216	1.391
C4	1.200	-0.005
C5	-1.200	-0.005
C6	0.000	-0.719
Cl7	2.700	-0.882
Cl8	-2.700	-0.882
H9	0.000	3.162
H10	2.158	1.923
H11	-2.158	1.923
H12	0.000	-1.801

	C1	C2	C3	C4	C5	C6	Cl7	Cl8	H9	H10	H11	H12
C1		1.3970	1.3970	2.4047	2.4047	2.7982	4.0071	4.0071	1.0828	2.1635	2.1635	3.8797
C2	1.3970		2.4319	1.3964	2.7901	2.4357	2.7147	4.5280	2.1479	1.0817	3.4155	3.4157
C3	1.3970	2.4319		2.7901	1.3964	2.4357	4.5280	2.7147	2.1479	3.4155	1.0817	3.4157
C4	2.4047	1.3964	2.7901		2.3993	1.3961	1.7379	3.9972	3.3865	2.1531	3.8718	2.1595
C5	2.4047	2.7901	1.3964	2.3993		1.3961	3.9972	1.7379	3.3865	3.8718	2.1531	2.1595
C6	2.7982	2.4357	2.4357	1.3961	1.3961		2.7051	2.7051	3.8810	3.4114	3.4114	1.0815
Cl7	4.0071	2.7147	4.5280	1.7379	3.9972	2.7051		5.4004	4.8623	2.8567	5.6096	2.8523
Cl8	4.0071	4.5280	2.7147	3.9972	1.7379	2.7051	5.4004		4.8623	5.6096	2.8567	2.8523
H9	1.0828	2.1479	2.1479	3.3865	3.3865	3.8810	4.8623	4.8623		2.4882	2.4882	4.9625
H10	2.1635	1.0817	3.4155	2.1531	3.8718	3.4114	2.8567	5.6096	2.4882		4.3158	4.3038
H11	2.1635	3.4155	1.0817	3.8718	2.1531	3.4114	5.6096	2.8567	2.4882	4.3158		4.3038
H12	3.8797	3.4157	3.4157	2.1595	2.1595	1.0815	2.8523	2.8523	4.9625	4.3038	4.3038

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	118.825	C1	C2	H10	121.059
C1	C3	C5	118.825	C1	C3	H11	121.059
C2	C1	C3	121.013	C2	C1	H9	119.493
C2	C4	C6	121.432	C2	C4	Cl7	119.627
C3	C1	H9	119.493	C3	C5	C6	121.432
C3	C5	Cl8	119.627	C4	C2	H10	120.116
C4	C6	C5	118.472	C4	C6	H12	120.764
C5	C3	H11	120.116	C5	C6	H12	120.764
C6	C4	Cl7	118.941	C6	C5	Cl8	118.941

All results from a given calculation for C₆H₄Cl₂ (1,3-dichlorobenzene)

using model chemistry: MP2/6-31+G**

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 (1,3-dichlorobenzene)

using model chemistry: MP2/6-31+G**

States and conformations

All results from a given calculation for C₆H₄Cl₂ (1,3-dichlorobenzene)