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	hartrees
Energy at 0K	-690.437006
Energy at 298.15K	-690.442449
Nuclear repulsion energy	316.962279

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3330	3081	2.69
2	A₁	3317	3069	17.04
3	A₁	3294	3048	0.04
4	A₁	1734	1605	25.60
5	A₁	1595	1475	50.74
6	A₁	1255	1162	0.01
7	A₁	1177	1089	41.16
8	A₁	1092	1011	12.71
9	A₁	1053	974	7.65
10	A₁	748	692	22.98
11	A₁	440	407	2.72
12	A₂	1000	926	0.00
13	A₂	886	820	0.00
14	A₂	431	399	0.00
15	B₁	992	918	0.06
16	B₁	941	870	1.85
17	B₁	780	722	98.24
18	B₁	653	604	3.38
19	B₁	493	456	10.94
20	B₁	198	184	0.29
21	B₂	3327	3078	11.58
22	B₂	3304	3057	9.24
23	B₂	1730	1600	2.70
24	B₂	1553	1437	9.50
25	B₂	1405	1300	0.18
26	B₂	1319	1220	0.22
27	B₂	1211	1121	0.02
28	B₂	1148	1062	3.23
29	B₂	652	603	0.28
30	B₂	311	288	0.01

Atom	y (Å)	z (Å)
Cl1	0.000	2.243
C2	0.000	0.506
C3	1.207	-0.174
C4	-1.207	-0.174
C5	1.200	-1.562
C6	-1.200	-1.562
C7	0.000	-2.259
H8	2.134	0.375
H9	-2.134	0.375
H10	2.138	-2.096
H11	-2.138	-2.096
H12	0.000	-3.338

	Cl1	C2	C3	C4	C5	C6	C7	H8	H9	H10	H11	H12
Cl1		1.7374	2.7021	2.7021	3.9900	3.9900	4.5022	2.8365	2.8365	4.8373	4.8373	5.5809
C2	1.7374		1.3853	1.3853	2.3908	2.3908	2.7648	2.1381	2.1381	3.3674	3.3674	3.8436
C3	2.7021	1.3853		2.4135	1.3876	2.7781	2.4086	1.0777	3.3856	2.1353	3.8572	3.3857
C4	2.7021	1.3853	2.4135		2.7781	1.3876	2.4086	3.3856	1.0777	3.8572	2.1353	3.3857
C5	3.9900	2.3908	1.3876	2.7781		2.4001	1.3878	2.1501	3.8558	1.0790	3.3802	2.1432
C6	3.9900	2.3908	2.7781	1.3876	2.4001		1.3878	3.8558	2.1501	3.3802	1.0790	2.1432
C7	4.5022	2.7648	2.4086	2.4086	1.3878	1.3878		3.3897	3.3897	2.1438	2.1438	1.0788
H8	2.8365	2.1381	1.0777	3.3856	2.1501	3.8558	3.3897		4.2681	2.4708	4.9348	4.2821
H9	2.8365	2.1381	3.3856	1.0777	3.8558	2.1501	3.3897	4.2681		4.9348	2.4708	4.2821
H10	4.8373	3.3674	2.1353	3.8572	1.0790	3.3802	2.1438	2.4708	4.9348		4.2753	2.4721
H11	4.8373	3.3674	3.8572	2.1353	3.3802	1.0790	2.1438	4.9348	2.4708	4.2753		2.4721
H12	5.5809	3.8436	3.3857	3.3857	2.1432	2.1432	1.0788	4.2821	4.2821	2.4721	2.4721

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Cl1	C2	C3	119.411	Cl1	C2	C4	119.411
C2	C3	C5	119.135	C2	C3	H8	119.956
C2	C4	C6	119.135	C2	C4	H9	119.956
C3	C2	C4	121.177	C3	C5	C7	120.423
C3	C5	H10	119.391	C4	C6	C7	120.423
C4	C6	H11	119.391	C5	C3	H8	120.909
C5	C7	C6	119.706	C5	C7	H12	120.147
C6	C4	H9	120.909	C6	C7	H12	120.147
C7	C5	H10	120.185	C7	C6	H11	120.185

All results from a given calculation for C₆H₅Cl (chlorobenzene)

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

States and conformations

All results from a given calculation for C₆H₅Cl (chlorobenzene)