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	hartrees
Energy at 0K	-690.574302
Energy at 298.15K	-690.579495
HF Energy	-689.611323
Nuclear repulsion energy	315.030056

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3281	3088	2.82
2	A₁	3268	3077	17.37
3	A₁	3247	3057	0.05
4	A₁	1686	1587	20.63
5	A₁	1556	1465	36.37
6	A₁	1227	1155	0.00
7	A₁	1145	1078	36.12
8	A₁	1064	1002	9.79
9	A₁	1021	961	7.20
10	A₁	725	682	18.66
11	A₁	424	399	2.35
12	A₂	944	889	0.00
13	A₂	849	799	0.00
14	A₂	406	382	0.00
15	B₁	940	884	0.07
16	B₁	892	840	1.09
17	B₁	746	702	70.52
18	B₁	563	530	0.25
19	B₁	466	439	4.86
20	B₁	190	179	0.06
21	B₂	3277	3085	12.15
22	B₂	3256	3065	9.09
23	B₂	1681	1583	2.16
24	B₂	1516	1427	5.60
25	B₂	1368	1287	0.30
26	B₂	1306	1230	0.08
27	B₂	1199	1129	0.02
28	B₂	1122	1057	2.41
29	B₂	631	594	0.17
30	B₂	301	283	0.16

Atom	y (Å)	z (Å)
Cl1	0.000	2.257
C2	0.000	0.510
C3	1.215	-0.176
C4	-1.215	-0.176
C5	1.208	-1.572
C6	-1.208	-1.572
C7	0.000	-2.273
H8	2.145	0.375
H9	-2.145	0.375
H10	2.148	-2.108
H11	-2.148	-2.108
H12	0.000	-3.355

	Cl1	C2	C3	C4	C5	C6	C7	H8	H9	H10	H11	H12
Cl1		1.7478	2.7195	2.7195	4.0153	4.0153	4.5303	2.8538	2.8538	4.8654	4.8654	5.6125
C2	1.7478		1.3948	1.3948	2.4066	2.4066	2.7825	2.1495	2.1495	3.3863	3.3863	3.8647
C3	2.7195	1.3948		2.4298	1.3963	2.7963	2.4237	1.0813	3.4051	2.1460	3.8788	3.4037
C4	2.7195	1.3948	2.4298		2.7963	1.3963	2.4237	3.4051	1.0813	3.8788	2.1460	3.4037
C5	4.0153	2.4066	1.3963	2.7963		2.4157	1.3965	2.1612	3.8775	1.0825	3.3986	2.1537
C6	4.0153	2.4066	2.7963	1.3963	2.4157		1.3965	3.8775	2.1612	3.3986	1.0825	2.1537
C7	4.5303	2.7825	2.4237	2.4237	1.3965	1.3965		3.4082	3.4082	2.1546	2.1546	1.0822
H8	2.8538	2.1495	1.0813	3.4051	2.1612	3.8775	3.4082		4.2906	2.4833	4.9600	4.3033
H9	2.8538	2.1495	3.4051	1.0813	3.8775	2.1612	3.4082	4.2906		4.9600	2.4833	4.3033
H10	4.8654	3.3863	2.1460	3.8788	1.0825	3.3986	2.1546	2.4833	4.9600		4.2966	2.4840
H11	4.8654	3.3863	3.8788	2.1460	3.3986	1.0825	2.1546	4.9600	2.4833	4.2966		2.4840
H12	5.6125	3.8647	3.4037	3.4037	2.1537	2.1537	1.0822	4.3033	4.3033	2.4840	2.4840

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Cl1	C2	C3	119.424	Cl1	C2	C4	119.424
C2	C3	C5	119.134	C2	C3	H8	119.941
C2	C4	C6	119.134	C2	C4	H9	119.941
C3	C2	C4	121.152	C3	C5	C7	120.419
C3	C5	H10	119.391	C4	C6	C7	120.419
C4	C6	H11	119.391	C5	C3	H8	120.926
C5	C7	C6	119.743	C5	C7	H12	120.128
C6	C4	H9	120.926	C6	C7	H12	120.128
C7	C5	H10	120.190	C7	C6	H11	120.190

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)