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	hartrees
Energy at 0K	-1150.146965
Energy at 298.15K	-1150.139338
HF Energy	-1148.498592
Nuclear repulsion energy	453.975780

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3403	3403	0.21
2	A₁	3394	3394	5.27
3	A₁	3363	3363	6.88
4	A₁	1773	1773	26.92
5	A₁	1565	1565	17.87
6	A₁	1236	1236	24.07
7	A₁	1182	1182	14.24
8	A₁	1084	1084	4.44
9	A₁	724	724	2.48
10	A₁	430	430	3.71
11	A₁	211	211	0.59
12	A₂	1018	1018	0.00
13	A₂	595	595	0.00
14	A₂	227	227	0.00
15	B₁	1098	1098	0.36
16	B₁	998	998	14.73
17	B₁	880	880	43.20
18	B₁	748	748	15.81
19	B₁	485	485	3.45
20	B₁	186	186	0.00
21	B₂	3389	3389	2.19
22	B₂	1779	1779	76.56
23	B₂	1629	1629	71.52
24	B₂	1426	1426	2.44
25	B₂	1304	1304	0.01
26	B₂	1212	1212	12.05
27	B₂	1187	1187	15.86
28	B₂	852	852	90.93
29	B₂	464	464	4.25
30	B₂	397	397	0.41

Atom	y (Å)	z (Å)
C1	0.000	2.067
C2	1.206	1.383
C3	-1.206	1.383
C4	1.189	-0.002
C5	-1.189	-0.002
C6	0.000	-0.712
Cl7	2.695	-0.879
Cl8	-2.695	-0.879
H9	0.000	3.144
H10	2.143	1.912
H11	-2.143	1.912
H12	0.000	-1.787

	C1	C2	C3	C4	C5	C6	Cl7	Cl8	H9	H10	H11	H12
C1		1.3865	1.3865	2.3859	2.3859	2.7789	3.9928	3.9928	1.0775	2.1482	2.1482	3.8537
C2	1.3865		2.4117	1.3845	2.7660	2.4169	2.7080	4.5093	2.1349	1.0758	3.3900	3.3910
C3	1.3865	2.4117		2.7660	1.3845	2.4169	4.5093	2.7080	2.1349	3.3900	1.0758	3.3910
C4	2.3859	1.3845	2.7660		2.3775	1.3847	1.7433	3.9819	3.3632	2.1381	3.8418	2.1446
C5	2.3859	2.7660	1.3845	2.3775		1.3847	3.9819	1.7433	3.3632	3.8418	2.1381	2.1446
C6	2.7789	2.4169	2.4169	1.3847	1.3847		2.7005	2.7005	3.8564	3.3874	3.3874	1.0748
Cl7	3.9928	2.7080	4.5093	1.7433	3.9819	2.7005		5.3908	4.8427	2.8448	5.5851	2.8442
Cl8	3.9928	4.5093	2.7080	3.9819	1.7433	2.7005	5.3908		4.8427	5.5851	2.8448	2.8442
H9	1.0775	2.1349	2.1349	3.3632	3.3632	3.8564	4.8427	4.8427		2.4719	2.4719	4.9311
H10	2.1482	1.0758	3.3900	2.1381	3.8418	3.3874	2.8448	5.5851	2.4719		4.2852	4.2743
H11	2.1482	3.3900	1.0758	3.8418	2.1381	3.3874	5.5851	2.8448	2.4719	4.2852		4.2743
H12	3.8537	3.3910	3.3910	2.1446	2.1446	1.0748	2.8442	2.8442	4.9311	4.2743	4.2743

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	118.865	C1	C2	H10	120.969
C1	C3	C5	118.865	C1	C3	H11	120.969
C2	C1	C3	120.854	C2	C1	H9	119.573
C2	C4	C6	121.564	C2	C4	Cl7	119.498
C3	C1	H9	119.573	C3	C5	C6	121.564
C3	C5	Cl8	119.498	C4	C2	H10	120.166
C4	C6	C5	118.287	C4	C6	H12	120.856
C5	C3	H11	120.166	C5	C6	H12	120.856
C6	C4	Cl7	118.938	C6	C5	Cl8	118.938

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

using model chemistry: CBS-Q

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: CBS-Q

States and conformations

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