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	hartrees
Energy at 0K	-690.635332
Energy at 298.15K	-690.640265
HF Energy	-689.674582
Nuclear repulsion energy	315.049920

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3240	3079	3.78
2	A₁	3230	3069	8.81
3	A₁	3209	3049	0.19
4	A₁	1632	1551	24.57
5	A₁	1508	1433	42.60
6	A₁	1199	1139	0.00
7	A₁	1129	1073	41.41
8	A₁	1044	992	11.02
9	A₁	1004	954	7.64
10	A₁	718	682	18.89
11	A₁	422	401	1.89
12	A₂	904	859	0.00
13	A₂	817	776	0.00
14	A₂	394	374	0.00
15	B₁	897	852	0.01
16	B₁	855	812	0.36
17	B₁	718	682	87.64
18	B₁	441	419	8.01
19	B₁	365	347	0.16
20	B₁	183	174	0.28
21	B₂	3237	3075	6.80
22	B₂	3218	3058	6.02
23	B₂	1631	1550	2.26
24	B₂	1474	1401	5.93
25	B₂	1445	1373	0.56
26	B₂	1327	1260	0.17
27	B₂	1181	1122	0.10
28	B₂	1098	1043	3.60
29	B₂	617	587	0.25
30	B₂	296	281	0.00

Atom	y (Å)	z (Å)
Cl1	0.000	2.252
C2	0.000	0.514
C3	1.216	-0.173
C4	-1.216	-0.173
C5	1.209	-1.571
C6	-1.209	-1.571
C7	0.000	-2.274
H8	2.149	0.382
H9	-2.149	0.382
H10	2.153	-2.108
H11	-2.153	-2.108
H12	0.000	-3.359

	Cl1	C2	C3	C4	C5	C6	C7	H8	H9	H10	H11	H12
Cl1		1.7377	2.7126	2.7126	4.0092	4.0092	4.5255	2.8487	2.8487	4.8625	4.8625	5.6112
C2	1.7377		1.3970	1.3970	2.4101	2.4101	2.7877	2.1531	2.1531	3.3929	3.3929	3.8734
C3	2.7126	1.3970		2.4329	1.3980	2.7997	2.4277	1.0851	3.4109	2.1500	3.8859	3.4109
C4	2.7126	1.3970	2.4329		2.7997	1.3980	2.4277	3.4109	1.0851	3.8859	2.1500	3.4109
C5	4.0092	2.4101	1.3980	2.7997		2.4184	1.3987	2.1670	3.8847	1.0862	3.4051	2.1590
C6	4.0092	2.4101	2.7997	1.3980	2.4184		1.3987	3.8847	2.1670	3.4051	1.0862	2.1590
C7	4.5255	2.7877	2.4277	2.4277	1.3987	1.3987		3.4162	3.4162	2.1597	2.1597	1.0857
H8	2.8487	2.1531	1.0851	3.4109	2.1670	3.8847	3.4162		4.2982	2.4898	4.9709	4.3146
H9	2.8487	2.1531	3.4109	1.0851	3.8847	2.1670	3.4162	4.2982		4.9709	2.4898	4.3146
H10	4.8625	3.3929	2.1500	3.8859	1.0862	3.4051	2.1597	2.4898	4.9709		4.3066	2.4905
H11	4.8625	3.3929	3.8859	2.1500	3.4051	1.0862	2.1597	4.9709	2.4898	4.3066		2.4905
H12	5.6112	3.8734	3.4109	3.4109	2.1590	2.1590	1.0857	4.3146	4.3146	2.4905	2.4905

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Cl1	C2	C3	119.450	Cl1	C2	C4	119.450
C2	C3	C5	119.152	C2	C3	H8	119.810
C2	C4	C6	119.152	C2	C4	H9	119.810
C3	C2	C4	121.101	C3	C5	C7	120.468
C3	C5	H10	119.342	C4	C6	C7	120.468
C4	C6	H11	119.342	C5	C3	H8	121.038
C5	C7	C6	119.659	C5	C7	H12	120.171
C6	C4	H9	121.038	C6	C7	H12	120.171
C7	C5	H10	120.189	C7	C6	H11	120.189

All results from a given calculation for C₆H₅Cl (chlorobenzene)

using model chemistry: MP2/6-311G**

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: MP2/6-311G**

States and conformations

All results from a given calculation for C₆H₅Cl (chlorobenzene)