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	hartrees
Energy at 0K	-50.510313
Energy at 298.15K	-50.515906
Nuclear repulsion energy	130.853228

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3417	3068	2.13
2	A₁	3400	3053	36.04
3	A₁	3366	3022	0.06
4	A₁	1784	1602	29.40
5	A₁	1629	1463	47.96
6	A₁	1275	1145	0.00
7	A₁	1195	1074	43.37
8	A₁	1110	997	17.44
9	A₁	1063	954	11.60
10	A₁	748	672	27.57
11	A₁	439	395	3.40
12	A₂	1109	996	0.00
13	A₂	962	864	0.00
14	A₂	445	399	0.00
15	B₁	1119	1005	0.11
16	B₁	1043	936	3.77
17	B₁	850	763	102.79
18	B₁	732	658	12.52
19	B₁	511	459	11.07
20	B₁	207	186	0.22
21	B₂	3415	3066	22.14
22	B₂	3381	3036	19.03
23	B₂	1783	1601	2.23
24	B₂	1586	1425	6.86
25	B₂	1434	1287	0.11
26	B₂	1335	1199	0.52
27	B₂	1217	1093	0.41
28	B₂	1167	1048	3.40
29	B₂	650	584	0.27
30	B₂	312	280	0.15

Atom	y (Å)	z (Å)
Cl1	0.000	2.601
C2	0.000	0.847
C3	1.225	0.163
C4	-1.225	0.163
C5	1.216	-1.243
C6	-1.216	-1.243
C7	0.000	-1.948
H8	2.153	0.712
H9	-2.153	0.712
H10	2.154	-1.778
H11	-2.154	-1.778
H12	0.000	-3.028

	Cl1	C2	C3	C4	C5	C6	C7	H8	H9	H10	H11	H12
Cl1		1.7540	2.7284	2.7284	4.0309	4.0309	4.5486	2.8639	2.8639	4.8799	4.8799	5.6284
C2	1.7540		1.4031	1.4031	2.4171	2.4171	2.7945	2.1570	2.1570	3.3954	3.3954	3.8744
C3	2.7284	1.4031		2.4505	1.4054	2.8167	2.4406	1.0778	3.4223	2.1518	3.8968	3.4178
C4	2.7284	1.4031	2.4505		2.8167	1.4054	2.4406	3.4223	1.0778	3.8968	2.1518	3.4178
C5	4.0309	2.4171	1.4054	2.8167		2.4316	1.4056	2.1674	3.8944	1.0802	3.4118	2.1599
C6	4.0309	2.4171	2.8167	1.4054	2.4316		1.4056	3.8944	2.1674	3.4118	1.0802	2.1599
C7	4.5486	2.7945	2.4406	2.4406	1.4056	1.4056		3.4218	3.4218	2.1604	2.1604	1.0798
H8	2.8639	2.1570	1.0778	3.4223	2.1674	3.8944	3.4218		4.3055	2.4901	4.9746	4.3150
H9	2.8639	2.1570	3.4223	1.0778	3.8944	2.1674	3.4218	4.3055		4.9746	2.4901	4.3150
H10	4.8799	3.3954	2.1518	3.8968	1.0802	3.4118	2.1604	2.4901	4.9746		4.3075	2.4899
H11	4.8799	3.3954	3.8968	2.1518	3.4118	1.0802	2.1604	4.9746	2.4901	4.3075		2.4899
H12	5.6284	3.8744	3.4178	3.4178	2.1599	2.1599	1.0798	4.3150	4.3150	2.4899	2.4899

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Cl1	C2	C3	119.164	Cl1	C2	C4	119.164
C2	C3	C5	118.778	C2	C3	H8	120.215
C2	C4	C6	118.778	C2	C4	H9	120.215
C3	C2	C4	121.673	C3	C5	C7	120.509
C3	C5	H10	119.349	C4	C6	C7	120.509
C4	C6	H11	119.349	C5	C3	H8	121.006
C5	C7	C6	119.753	C5	C7	H12	120.123
C6	C4	H9	121.006	C6	C7	H12	120.123
C7	C5	H10	120.142	C7	C6	H11	120.142

All results from a given calculation for C₆H₅Cl (chlorobenzene)

using model chemistry: HF/CEP-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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Number	Element	Mulliken
1	Cl	-0.110
2	C	-0.272
3	C	-0.052
4	C	-0.052
5	C	-0.367
6	C	-0.367
7	C	-0.231
8	H	0.309
9	H	0.309
10	H	0.277
11	H	0.277
12	H	0.277

<r²>	0.000
(<r²>)^1/2	0.000

All results from a given calculation for C6H5Cl (chlorobenzene)

using model chemistry: HF/CEP-31G*

States and conformations

All results from a given calculation for C₆H₅Cl (chlorobenzene)