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	hartrees
Energy at 0K	-1149.559586
Energy at 298.15K	-1149.563673
HF Energy	-1148.500555
Nuclear repulsion energy	452.365912

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3279	3078	0.69
2	A₁	3275	3074	2.34
3	A₁	3249	3049	4.34
4	A₁	1682	1579	24.12
5	A₁	1492	1400	15.00
6	A₁	1187	1114	17.32
7	A₁	1133	1064	12.02
8	A₁	1027	964	5.27
9	A₁	690	648	1.52
10	A₁	413	387	2.54
11	A₁	202	189	0.49
12	A₂	875	821	0.00
13	A₂	526	494	0.00
14	A₂	206	194	0.00
15	B₁	916	860	0.43
16	B₁	842	790	3.70
17	B₁	768	721	72.44
18	B₁	535	502	0.00
19	B₁	434	407	3.14
20	B₁	171	160	0.03
21	B₂	3270	3069	0.77
22	B₂	1689	1585	67.81
23	B₂	1547	1452	63.83
24	B₂	1349	1267	1.58
25	B₂	1284	1205	0.46
26	B₂	1220	1145	0.53
27	B₂	1146	1076	18.38
28	B₂	823	773	70.78
29	B₂	442	415	2.70
30	B₂	377	353	0.27

Atom	y (Å)	z (Å)
C1	0.000	2.076
C2	1.213	1.389
C3	-1.213	1.389
C4	1.195	-0.004
C5	-1.195	-0.004
C6	0.000	-0.718
Cl7	2.701	-0.882
Cl8	-2.701	-0.882
H9	0.000	3.162
H10	2.158	1.921
H11	-2.158	1.921
H12	0.000	-1.802

	C1	C2	C3	C4	C5	C6	Cl7	Cl8	H9	H10	H11	H12
C1		1.3939	1.3939	2.3989	2.3989	2.7940	4.0052	4.0052	1.0858	2.1631	2.1631	3.8778
C2	1.3939		2.4253	1.3926	2.7818	2.4308	2.7146	4.5243	2.1481	1.0845	3.4120	3.4132
C3	1.3939	2.4253		2.7818	1.3926	2.4308	4.5243	2.7146	2.1481	3.4120	1.0845	3.4132
C4	2.3989	1.3926	2.7818		2.3910	1.3926	1.7426	3.9939	3.3839	2.1518	3.8662	2.1591
C5	2.3989	2.7818	1.3926	2.3910		1.3926	3.9939	1.7426	3.3839	3.8662	2.1518	2.1591
C6	2.7940	2.4308	2.4308	1.3926	1.3926		2.7058	2.7058	3.8798	3.4087	3.4087	1.0838
Cl7	4.0052	2.7146	4.5243	1.7426	3.9939	2.7058		5.4016	4.8625	2.8547	5.6088	2.8533
Cl8	4.0052	4.5243	2.7146	3.9939	1.7426	2.7058	5.4016		4.8625	5.6088	2.8547	2.8533
H9	1.0858	2.1481	2.1481	3.3839	3.3839	3.8798	4.8625	4.8625		2.4889	2.4889	4.9636
H10	2.1631	1.0845	3.4120	2.1518	3.8662	3.4087	2.8547	5.6088	2.4889		4.3151	4.3028
H11	2.1631	3.4120	1.0845	3.8662	2.1518	3.4087	5.6088	2.8547	2.4889	4.3151		4.3028
H12	3.8778	3.4132	3.4132	2.1591	2.1591	1.0838	2.8533	2.8533	4.9636	4.3028	4.3028

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	118.836	C1	C2	H10	121.064
C1	C3	C5	118.836	C1	C3	H11	121.064
C2	C1	C3	120.913	C2	C1	H9	119.544
C2	C4	C6	121.561	C2	C4	Cl7	119.539
C3	C1	H9	119.544	C3	C5	C6	121.561
C3	C5	Cl8	119.539	C4	C2	H10	120.100
C4	C6	C5	118.293	C4	C6	H12	120.853
C5	C3	H11	120.100	C5	C6	H12	120.853
C6	C4	Cl7	118.900	C6	C5	Cl8	118.900

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

using model chemistry: MP3/6-31G*

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: MP3/6-31G*

States and conformations

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