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	hartrees
Energy at 0K	-689.996088
Energy at 298.15K	-690.001484
Nuclear repulsion energy	311.786727

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3301	3087	3.61
2	A₁	3282	3070	17.45
3	A₁	3257	3046	0.11
4	A₁	1706	1595	23.55
5	A₁	1590	1487	39.55
6	A₁	1274	1191	0.02
7	A₁	1156	1081	27.63
8	A₁	1090	1019	23.93
9	A₁	1064	995	4.80
10	A₁	731	684	25.44
11	A₁	416	389	4.80
12	A₂	988	924	0.00
13	A₂	889	831	0.00
14	A₂	431	403	0.00
15	B₁	970	907	0.16
16	B₁	943	882	4.01
17	B₁	783	733	91.82
18	B₁	666	623	8.40
19	B₁	495	463	8.63
20	B₁	195	183	0.05
21	B₂	3295	3082	10.59
22	B₂	3268	3057	10.73
23	B₂	1711	1600	3.07
24	B₂	1551	1450	8.18
25	B₂	1421	1329	0.41
26	B₂	1326	1240	0.85
27	B₂	1246	1165	0.04
28	B₂	1151	1076	3.00
29	B₂	662	619	0.23
30	B₂	296	277	0.33

Atom	y (Å)	z (Å)
Cl1	0.000	2.308
C2	0.000	0.484
C3	1.216	-0.193
C4	-1.216	-0.193
C5	1.211	-1.594
C6	-1.211	-1.594
C7	0.000	-2.296
H8	2.147	0.359
H9	-2.147	0.359
H10	2.153	-2.130
H11	-2.153	-2.130
H12	0.000	-3.379

	Cl1	C2	C3	C4	C5	C6	C7	H8	H9	H10	H11	H12
Cl1		1.8246	2.7816	2.7816	4.0858	4.0858	4.6038	2.8996	2.8996	4.9331	4.9331	5.6876
C2	1.8246		1.3921	1.3921	2.4048	2.4048	2.7793	2.1504	2.1504	3.3864	3.3864	3.8630
C3	2.7816	1.3921		2.4328	1.4006	2.8026	2.4288	1.0821	3.4083	2.1515	3.8864	3.4103
C4	2.7816	1.3921	2.4328		2.8026	1.4006	2.4288	3.4083	1.0821	3.8864	2.1515	3.4103
C5	4.0858	2.4048	1.4006	2.8026		2.4224	1.3998	2.1657	3.8847	1.0838	3.4066	2.1575
C6	4.0858	2.4048	2.8026	1.4006	2.4224		1.3998	3.8847	2.1657	3.4066	1.0838	2.1575
C7	4.6038	2.7793	2.4288	2.4288	1.3998	1.3998		3.4143	3.4143	2.1592	2.1592	1.0837
H8	2.8996	2.1504	1.0821	3.4083	2.1657	3.8847	3.4143		4.2937	2.4896	4.9684	4.3111
H9	2.8996	2.1504	3.4083	1.0821	3.8847	2.1657	3.4143	4.2937		4.9684	2.4896	4.3111
H10	4.9331	3.3864	2.1515	3.8864	1.0838	3.4066	2.1592	2.4896	4.9684		4.3058	2.4890
H11	4.9331	3.3864	3.8864	2.1515	3.4066	1.0838	2.1592	4.9684	2.4896	4.3058		2.4890
H12	5.6876	3.8630	3.4103	3.4103	2.1575	2.1575	1.0837	4.3111	4.3111	2.4890	2.4890

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Cl1	C2	C3	119.098	Cl1	C2	C4	119.098
C2	C3	C5	118.885	C2	C3	H8	120.198
C2	C4	C6	118.885	C2	C4	H9	120.198
C3	C2	C4	121.803	C3	C5	C7	120.301
C3	C5	H10	119.455	C4	C6	C7	120.301
C4	C6	H11	119.455	C5	C3	H8	120.917
C5	C7	C6	119.826	C5	C7	H12	120.087
C6	C4	H9	120.917	C6	C7	H12	120.087
C7	C5	H10	120.245	C7	C6	H11	120.245

All results from a given calculation for C₆H₅Cl (chlorobenzene)

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 C6H5Cl (chlorobenzene)

using model chemistry: CID/6-31G

States and conformations

All results from a given calculation for C₆H₅Cl (chlorobenzene)