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	hartrees
Energy at 0K	-690.651400
Energy at 298.15K
HF Energy	-689.693832
Nuclear repulsion energy	315.565636

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3254	3084	3.27
2	A₁	3243	3075	8.48
3	A₁	3222	3054	0.14
4	A₁	1634	1548	24.58
5	A₁	1517	1438	40.80
6	A₁	1209	1146	0.00
7	A₁	1122	1064	35.21
8	A₁	1047	992	12.47
9	A₁	998	946	9.72
10	A₁	716	679	18.36
11	A₁	420	398	2.40
12	A₂	725	687	0.00
13	A₂	604	573	0.00
14	A₂	249i	236i	0.00
15	B₁	775	735	2.02
16	B₁	685	649	40.80
17	B₁	629	596	55.11
18	B₁	206	196	1.10
19	B₁	135i	128i	0.06
20	B₁	1863i	1766i	0.01
21	B₂	3250	3081	5.58
22	B₂	3231	3063	6.13
23	B₂	1634	1549	2.67
24	B₂	1482	1404	5.16
25	B₂	1435	1360	0.05
26	B₂	1337	1267	0.19
27	B₂	1193	1131	0.12
28	B₂	1104	1047	4.82
29	B₂	620	588	0.23
30	B₂	296	280	0.11

Atom	y (Å)	z (Å)
Cl1	0.000	2.252
C2	0.000	0.516
C3	1.209	-0.176
C4	-1.209	-0.176
C5	1.203	-1.569
C6	-1.203	-1.569
C7	0.000	-2.269
H8	2.141	0.372
H9	-2.141	0.372
H10	2.143	-2.104
H11	-2.143	-2.104
H12	0.000	-3.351

	Cl1	C2	C3	C4	C5	C6	C7	H8	H9	H10	H11	H12
Cl1		1.7360	2.7123	2.7123	4.0051	4.0051	4.5209	2.8487	2.8487	4.8547	4.8547	5.6030
C2	1.7360		1.3928	1.3928	2.4065	2.4065	2.7849	2.1455	2.1455	3.3850	3.3850	3.8670
C3	2.7123	1.3928		2.4173	1.3921	2.7846	2.4167	1.0814	3.3940	2.1425	3.8668	3.3971
C4	2.7123	1.3928	2.4173		2.7846	1.3921	2.4167	3.3940	1.0814	3.8668	2.1425	3.3971
C5	4.0051	2.4065	1.3921	2.7846		2.4060	1.3922	2.1553	3.8660	1.0822	3.3889	2.1507
C6	4.0051	2.4065	2.7846	1.3921	2.4060		1.3922	3.8660	2.1553	3.3889	1.0822	2.1507
C7	4.5209	2.7849	2.4167	2.4167	1.3922	1.3922		3.3999	3.3999	2.1496	2.1496	1.0821
H8	2.8487	2.1455	1.0814	3.3940	2.1553	3.8660	3.3999		4.2813	2.4765	4.9482	4.2949
H9	2.8487	2.1455	3.3940	1.0814	3.8660	2.1553	3.3999	4.2813		4.9482	2.4765	4.2949
H10	4.8547	3.3850	2.1425	3.8668	1.0822	3.3889	2.1496	2.4765	4.9482		4.2865	2.4796
H11	4.8547	3.3850	3.8668	2.1425	3.3889	1.0822	2.1496	4.9482	2.4765	4.2865		2.4796
H12	5.6030	3.8670	3.3971	3.3971	2.1507	2.1507	1.0821	4.2949	4.2949	2.4796	2.4796

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Cl1	C2	C3	119.797	Cl1	C2	C4	119.797
C2	C3	C5	119.563	C2	C3	H8	119.722
C2	C4	C6	119.563	C2	C4	H9	119.722
C3	C2	C4	120.406	C3	C5	C7	120.454
C3	C5	H10	119.444	C4	C6	C7	120.454
C4	C6	H11	119.444	C5	C3	H8	120.715
C5	C7	C6	119.561	C5	C7	H12	120.220
C6	C4	H9	120.715	C6	C7	H12	120.220
C7	C5	H10	120.102	C7	C6	H11	120.102

All results from a given calculation for C₆H₅Cl (chlorobenzene)

using model chemistry: MP2/TZVP

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/TZVP

States and conformations

All results from a given calculation for C₆H₅Cl (chlorobenzene)