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	hartrees
Energy at 0K	-690.534399
Energy at 298.15K	-690.539561
HF Energy	-689.601785
Nuclear repulsion energy	314.777411

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3233	3078	2.48
2	A₁	3221	3067	16.61
3	A₁	3199	3047	0.04
4	A₁	1681	1601	20.44
5	A₁	1548	1475	41.49
6	A₁	1228	1169	0.02
7	A₁	1142	1088	33.51
8	A₁	1064	1013	11.05
9	A₁	1022	973	7.21
10	A₁	725	690	19.22
11	A₁	424	404	2.51
12	A₂	925	881	0.00
13	A₂	839	799	0.00
14	A₂	408	388	0.00
15	B₁	919	875	0.16
16	B₁	879	837	1.16
17	B₁	741	706	80.22
18	B₁	573	545	0.26
19	B₁	467	445	5.56
20	B₁	190	181	0.07
21	B₂	3230	3076	10.64
22	B₂	3209	3056	9.00
23	B₂	1677	1597	2.36
24	B₂	1509	1437	7.13
25	B₂	1360	1295	0.28
26	B₂	1303	1240	0.11
27	B₂	1202	1145	0.01
28	B₂	1122	1069	3.07
29	B₂	631	601	0.20
30	B₂	301	287	0.17

Atom	y (Å)	z (Å)
Cl1	0.000	2.258
C2	0.000	0.509
C3	1.216	-0.175
C4	-1.216	-0.175
C5	1.208	-1.572
C6	-1.208	-1.572
C7	0.000	-2.273
H8	2.151	0.379
H9	-2.151	0.379
H10	2.154	-2.111
H11	-2.154	-2.111
H12	0.000	-3.362

	Cl1	C2	C3	C4	C5	C6	C7	H8	H9	H10	H11	H12
Cl1		1.7489	2.7201	2.7201	4.0164	4.0164	4.5315	2.8563	2.8563	4.8716	4.8716	5.6200
C2	1.7489		1.3950	1.3950	2.4067	2.4067	2.7826	2.1551	2.1551	3.3923	3.3923	3.8711
C3	2.7201	1.3950		2.4311	1.3969	2.7976	2.4248	1.0876	3.4121	2.1515	3.8863	3.4105
C4	2.7201	1.3950	2.4311		2.7976	1.3969	2.4248	3.4121	1.0876	3.8863	2.1515	3.4105
C5	4.0164	2.4067	1.3969	2.7976		2.4167	1.3971	2.1671	3.8851	1.0888	3.4055	2.1594
C6	4.0164	2.4067	2.7976	1.3969	2.4167		1.3971	3.8851	2.1671	3.4055	1.0888	2.1594
C7	4.5315	2.7826	2.4248	2.4248	1.3971	1.3971		3.4152	3.4152	2.1604	2.1604	1.0885
H8	2.8563	2.1551	1.0876	3.4121	2.1671	3.8851	3.4152		4.3024	2.4904	4.9738	4.3154
H9	2.8563	2.1551	3.4121	1.0876	3.8851	2.1671	3.4152	4.3024		4.9738	2.4904	4.3154
H10	4.8716	3.3923	2.1515	3.8863	1.0888	3.4055	2.1604	2.4904	4.9738		4.3085	2.4910
H11	4.8716	3.3923	3.8863	2.1515	3.4055	1.0888	2.1604	4.9738	2.4904	4.3085		2.4910
H12	5.6200	3.8711	3.4105	3.4105	2.1594	2.1594	1.0885	4.3154	4.3154	2.4910	2.4910

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Cl1	C2	C3	119.385	Cl1	C2	C4	119.385
C2	C3	C5	119.088	C2	C3	H8	119.967
C2	C4	C6	119.088	C2	C4	H9	119.967
C3	C2	C4	121.231	C3	C5	C7	120.424
C3	C5	H10	119.383	C4	C6	C7	120.424
C4	C6	H11	119.383	C5	C3	H8	120.945
C5	C7	C6	119.746	C5	C7	H12	120.127
C6	C4	H9	120.945	C6	C7	H12	120.127
C7	C5	H10	120.194	C7	C6	H11	120.194

All results from a given calculation for C₆H₅Cl (chlorobenzene)

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

States and conformations

All results from a given calculation for C₆H₅Cl (chlorobenzene)