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	hartrees
Energy at 0K	-686.637049
Energy at 298.15K	-686.642554
Nuclear repulsion energy	312.502091

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3302	3108	2.57
2	A₁	3283	3090	8.95
3	A₁	3259	3067	0.11
4	A₁	1673	1574	24.74
5	A₁	1590	1497	38.98
6	A₁	1280	1205	0.04
7	A₁	1150	1083	34.90
8	A₁	1097	1032	20.80
9	A₁	1062	1000	0.05
10	A₁	735	692	25.59
11	A₁	416	392	5.69
12	A₂	1035	974	0.00
13	A₂	907	854	0.00
14	A₂	443	417	0.00
15	B₁	1031	971	0.24
16	B₁	987	929	6.01
17	B₁	808	761	70.31
18	B₁	735	692	33.37
19	B₁	507	477	11.13
20	B₁	201	189	0.07
21	B₂	3297	3104	3.11
22	B₂	3269	3078	7.15
23	B₂	1680	1582	3.88
24	B₂	1551	1460	9.31
25	B₂	1433	1349	0.63
26	B₂	1306	1230	0.81
27	B₂	1216	1145	0.52
28	B₂	1140	1073	2.38
29	B₂	676	637	0.27
30	B₂	287	270	0.35

Atom	y (Å)	z (Å)
Cl1	0.000	2.307
C2	0.000	0.475
C3	1.212	-0.195
C4	-1.212	-0.195
C5	1.208	-1.591
C6	-1.208	-1.591
C7	0.000	-2.290
H8	2.137	0.361
H9	-2.137	0.361
H10	2.147	-2.126
H11	-2.147	-2.126
H12	0.000	-3.371

	Cl1	C2	C3	C4	C5	C6	C7	H8	H9	H10	H11	H12
Cl1		1.8322	2.7796	2.7796	4.0803	4.0803	4.5966	2.8905	2.8905	4.9253	4.9253	5.6774
C2	1.8322		1.3845	1.3845	2.3925	2.3925	2.7644	2.1403	2.1403	3.3722	3.3722	3.8452
C3	2.7796	1.3845		2.4239	1.3959	2.7935	2.4203	1.0792	3.3949	2.1457	3.8743	3.3992
C4	2.7796	1.3845	2.4239		2.7935	1.3959	2.4203	3.3949	1.0792	3.8743	2.1457	3.3992
C5	4.0803	2.3925	1.3959	2.7935		2.4155	1.3955	2.1614	3.8725	1.0809	3.3969	2.1510
C6	4.0803	2.3925	2.7935	1.3959	2.4155		1.3955	3.8725	2.1614	3.3969	1.0809	2.1510
C7	4.5966	2.7644	2.4203	2.4203	1.3955	1.3955		3.4048	3.4048	2.1529	2.1529	1.0808
H8	2.8905	2.1403	1.0792	3.3949	2.1614	3.8725	3.4048		4.2745	2.4868	4.9534	4.3000
H9	2.8905	2.1403	3.3949	1.0792	3.8725	2.1614	3.4048	4.2745		4.9534	2.4868	4.3000
H10	4.9253	3.3722	2.1457	3.8743	1.0809	3.3969	2.1529	2.4868	4.9534		4.2933	2.4813
H11	4.9253	3.3722	3.8743	2.1457	3.3969	1.0809	2.1529	4.9534	2.4868	4.2933		2.4813
H12	5.6774	3.8452	3.3992	3.3992	2.1510	2.1510	1.0808	4.3000	4.3000	2.4813	2.4813

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Cl1	C2	C3	118.911	Cl1	C2	C4	118.911
C2	C3	C5	118.739	C2	C3	H8	120.115
C2	C4	C6	118.739	C2	C4	H9	120.115
C3	C2	C4	122.179	C3	C5	C7	120.236
C3	C5	H10	119.524	C4	C6	C7	120.236
C4	C6	H11	119.524	C5	C3	H8	121.147
C5	C7	C6	119.871	C5	C7	H12	120.065
C6	C4	H9	121.147	C6	C7	H12	120.065
C7	C5	H10	120.240	C7	C6	H11	120.240

All results from a given calculation for C₆H₅Cl (chlorobenzene)

using model chemistry: CISD/3-21G

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: CISD/3-21G

States and conformations

All results from a given calculation for C₆H₅Cl (chlorobenzene)