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	hartrees
Energy at 0K	-1149.329186
Energy at 298.15K	-1149.333615
HF Energy	-1148.501433
Nuclear repulsion energy	454.913115

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3366	3110	0.71
2	A₁	3361	3104	2.70
3	A₁	3333	3079	4.78
4	A₁	1745	1612	25.40
5	A₁	1541	1424	17.21
6	A₁	1226	1133	20.11
7	A₁	1169	1080	11.58
8	A₁	1062	981	5.22
9	A₁	713	658	1.84
10	A₁	426	394	2.77
11	A₁	209	193	0.51
12	A₂	958	885	0.00
13	A₂	569	526	0.00
14	A₂	218	201	0.00
15	B₁	1014	936	0.06
16	B₁	922	852	9.61
17	B₁	831	767	64.99
18	B₁	665	615	3.85
19	B₁	464	428	3.50
20	B₁	180	166	0.02
21	B₂	3355	3099	0.89
22	B₂	1752	1618	72.19
23	B₂	1600	1478	69.36
24	B₂	1398	1291	1.88
25	B₂	1315	1215	0.23
26	B₂	1250	1154	0.68
27	B₂	1183	1093	21.07
28	B₂	849	784	76.65
29	B₂	457	422	2.86
30	B₂	391	361	0.31

Atom	y (Å)	z (Å)
C1	0.000	2.063
C2	1.205	1.380
C3	-1.205	1.380
C4	1.189	-0.003
C5	-1.189	-0.003
C6	0.000	-0.711
Cl7	2.688	-0.877
Cl8	-2.688	-0.877
H9	0.000	3.142
H10	2.143	1.910
H11	-2.143	1.910
H12	0.000	-1.788

	C1	C2	C3	C4	C5	C6	Cl7	Cl8	H9	H10	H11	H12
C1		1.3849	1.3849	2.3843	2.3843	2.7749	3.9835	3.9835	1.0786	2.1483	2.1483	3.8514
C2	1.3849		2.4094	1.3838	2.7646	2.4139	2.7006	4.4993	2.1343	1.0773	3.3892	3.3896
C3	1.3849	2.4094		2.7646	1.3838	2.4139	4.4993	2.7006	2.1343	3.3892	1.0773	3.3896
C4	2.3843	1.3838	2.7646		2.3775	1.3837	1.7347	3.9735	3.3626	2.1379	3.8419	2.1443
C5	2.3843	2.7646	1.3838	2.3775		1.3837	3.9735	1.7347	3.3626	3.8419	2.1379	2.1443
C6	2.7749	2.4139	2.4139	1.3837	1.3837		2.6926	2.6926	3.8536	3.3857	3.3857	1.0765
Cl7	3.9835	2.7006	4.4993	1.7347	3.9735	2.6926		5.3751	4.8347	2.8394	5.5766	2.8378
Cl8	3.9835	4.4993	2.7006	3.9735	1.7347	2.6926	5.3751		4.8347	5.5766	2.8394	2.8378
H9	1.0786	2.1343	2.1343	3.3626	3.3626	3.8536	4.8347	4.8347		2.4719	2.4719	4.9300
H10	2.1483	1.0773	3.3892	2.1379	3.8419	3.3857	2.8394	5.5766	2.4719		4.2857	4.2739
H11	2.1483	3.3892	1.0773	3.8419	2.1379	3.3857	5.5766	2.8394	2.4719	4.2857		4.2739
H12	3.8514	3.3896	3.3896	2.1443	2.1443	1.0765	2.8378	2.8378	4.9300	4.2739	4.2739

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	118.897	C1	C2	H10	120.998
C1	C3	C5	118.897	C1	C3	H11	120.998
C2	C1	C3	120.887	C2	C1	H9	119.556
C2	C4	C6	121.440	C2	C4	Cl7	119.572
C3	C1	H9	119.556	C3	C5	C6	121.440
C3	C5	Cl8	119.572	C4	C2	H10	120.105
C4	C6	C5	118.439	C4	C6	H12	120.780
C5	C3	H11	120.105	C5	C6	H12	120.780
C6	C4	Cl7	118.988	C6	C5	Cl8	118.988

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

using model chemistry: CID/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: CID/6-31G*

States and conformations

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