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	hartrees
Energy at 0K	-690.570901
Energy at 298.15K	-690.576038
HF Energy	-689.611647
Nuclear repulsion energy	315.742450

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3292	3076	3.99
2	A₁	3282	3067	10.19
3	A₁	3262	3048	0.14
4	A₁	1668	1559	21.93
5	A₁	1543	1442	39.91
6	A₁	1226	1145	0.00
7	A₁	1144	1069	37.28
8	A₁	1062	993	10.85
9	A₁	1020	953	7.66
10	A₁	726	678	18.64
11	A₁	426	398	2.27
12	A₂	922	862	0.00
13	A₂	838	783	0.00
14	A₂	403	377	0.00
15	B₁	921	861	0.04
16	B₁	877	820	0.78
17	B₁	739	691	73.81
18	B₁	510	476	0.02
19	B₁	462	432	4.89
20	B₁	189	176	0.07
21	B₂	3289	3073	7.53
22	B₂	3271	3056	6.60
23	B₂	1665	1556	2.49
24	B₂	1507	1408	5.56
25	B₂	1466	1370	0.17
26	B₂	1354	1265	0.23
27	B₂	1210	1131	0.12
28	B₂	1121	1047	3.22
29	B₂	627	586	0.20
30	B₂	302	282	0.13

Atom	y (Å)	z (Å)
Cl1	0.000	2.250
C2	0.000	0.511
C3	1.213	-0.174
C4	-1.213	-0.174
C5	1.206	-1.568
C6	-1.206	-1.568
C7	0.000	-2.268
H8	2.143	0.377
H9	-2.143	0.377
H10	2.145	-2.103
H11	-2.145	-2.103
H12	0.000	-3.349

	Cl1	C2	C3	C4	C5	C6	C7	H8	H9	H10	H11	H12
Cl1		1.7392	2.7106	2.7106	4.0036	4.0036	4.5181	2.8457	2.8457	4.8529	4.8529	5.5992
C2	1.7392		1.3931	1.3931	2.4029	2.4029	2.7789	2.1467	2.1467	3.3815	3.3815	3.8600
C3	2.7106	1.3931		2.4263	1.3937	2.7916	2.4201	1.0805	3.4006	2.1424	3.8730	3.3990
C4	2.7106	1.3931	2.4263		2.7916	1.3937	2.4201	3.4006	1.0805	3.8730	2.1424	3.3990
C5	4.0036	2.4029	1.3937	2.7916		2.4112	1.3943	2.1587	3.8720	1.0815	3.3935	2.1510
C6	4.0036	2.4029	2.7916	1.3937	2.4112		1.3943	3.8720	2.1587	3.3935	1.0815	2.1510
C7	4.5181	2.7789	2.4201	2.4201	1.3943	1.3943		3.4040	3.4040	2.1517	2.1517	1.0811
H8	2.8457	2.1467	1.0805	3.4006	2.1587	3.8720	3.4040		4.2850	2.4800	4.9534	4.2983
H9	2.8457	2.1467	3.4006	1.0805	3.8720	2.1587	3.4040	4.2850		4.9534	2.4800	4.2983
H10	4.8529	3.3815	2.1424	3.8730	1.0815	3.3935	2.1517	2.4800	4.9534		4.2908	2.4811
H11	4.8529	3.3815	3.8730	2.1424	3.3935	1.0815	2.1517	4.9534	2.4800	4.2908		2.4811
H12	5.5992	3.8600	3.3990	3.3990	2.1510	2.1510	1.0811	4.2983	4.2983	2.4811	2.4811

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Cl1	C2	C3	119.447	Cl1	C2	C4	119.447
C2	C3	C5	119.138	C2	C3	H8	119.886
C2	C4	C6	119.138	C2	C4	H9	119.886
C3	C2	C4	121.106	C3	C5	C7	120.461
C3	C5	H10	119.352	C4	C6	C7	120.461
C4	C6	H11	119.352	C5	C3	H8	120.976
C5	C7	C6	119.695	C5	C7	H12	120.153
C6	C4	H9	120.976	C6	C7	H12	120.153
C7	C5	H10	120.186	C7	C6	H11	120.186

All results from a given calculation for C₆H₅Cl (chlorobenzene)

using model chemistry: MP2=FULL/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: MP2=FULL/6-31G**

States and conformations

All results from a given calculation for C₆H₅Cl (chlorobenzene)