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	hartrees
Energy at 0K	-690.342740
Energy at 298.15K	-690.348202
HF Energy	-689.603237
Nuclear repulsion energy	317.065843

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3348	3092	2.45
2	A₁	3335	3081	14.87
3	A₁	3313	3060	0.03
4	A₁	1755	1621	22.48
5	A₁	1611	1488	48.09
6	A₁	1271	1174	0.01
7	A₁	1188	1097	36.86
8	A₁	1105	1021	11.22
9	A₁	1061	980	8.37
10	A₁	753	695	21.67
11	A₁	441	408	2.83
12	A₂	1010	933	0.00
13	A₂	897	828	0.00
14	A₂	433	400	0.00
15	B₁	1007	930	0.04
16	B₁	953	881	2.33
17	B₁	791	731	82.09
18	B₁	668	617	2.66
19	B₁	499	461	6.43
20	B₁	201	186	0.07
21	B₂	3344	3089	8.56
22	B₂	3323	3069	8.70
23	B₂	1750	1616	2.79
24	B₂	1569	1450	8.65
25	B₂	1415	1307	0.27
26	B₂	1338	1236	0.20
27	B₂	1234	1140	0.00
28	B₂	1163	1075	3.14
29	B₂	656	606	0.22
30	B₂	314	290	0.15

Atom	y (Å)	z (Å)
Cl1	0.000	2.243
C2	0.000	0.505
C3	1.206	-0.175
C4	-1.206	-0.175
C5	1.199	-1.561
C6	-1.199	-1.561
C7	0.000	-2.257
H8	2.134	0.374
H9	-2.134	0.374
H10	2.137	-2.096
H11	-2.137	-2.096
H12	0.000	-3.337

	Cl1	C2	C3	C4	C5	C6	C7	H8	H9	H10	H11	H12
Cl1		1.7386	2.7025	2.7025	3.9891	3.9891	4.5006	2.8374	2.8374	4.8370	4.8370	5.5800
C2	1.7386		1.3845	1.3845	2.3888	2.3888	2.7620	2.1384	2.1384	3.3661	3.3661	3.8414
C3	2.7025	1.3845		2.4124	1.3863	2.7761	2.4064	1.0784	3.3854	2.1346	3.8558	3.3839
C4	2.7025	1.3845	2.4124		2.7761	1.3863	2.4064	3.3854	1.0784	3.8558	2.1346	3.3839
C5	3.9891	2.3888	1.3863	2.7761		2.3982	1.3864	2.1493	3.8545	1.0796	3.3787	2.1424
C6	3.9891	2.3888	2.7761	1.3863	2.3982		1.3864	3.8545	2.1493	3.3787	1.0796	2.1424
C7	4.5006	2.7620	2.4064	2.4064	1.3864	1.3864		3.3880	3.3880	2.1431	2.1431	1.0794
H8	2.8374	2.1384	1.0784	3.3854	2.1493	3.8545	3.3880		4.2688	2.4699	4.9341	4.2806
H9	2.8374	2.1384	3.3854	1.0784	3.8545	2.1493	3.3880	4.2688		4.9341	2.4699	4.2806
H10	4.8370	3.3661	2.1346	3.8558	1.0796	3.3787	2.1431	2.4699	4.9341		4.2740	2.4710
H11	4.8370	3.3661	3.8558	2.1346	3.3787	1.0796	2.1431	4.9341	2.4699	4.2740		2.4710
H12	5.5800	3.8414	3.3839	3.3839	2.1424	2.1424	1.0794	4.2806	4.2806	2.4710	2.4710

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Cl1	C2	C3	119.404	Cl1	C2	C4	119.404
C2	C3	C5	119.111	C2	C3	H8	119.997
C2	C4	C6	119.111	C2	C4	H9	119.997
C3	C2	C4	121.191	C3	C5	C7	120.426
C3	C5	H10	119.394	C4	C6	C7	120.426
C4	C6	H11	119.394	C5	C3	H8	120.892
C5	C7	C6	119.735	C5	C7	H12	120.133
C6	C4	H9	120.892	C6	C7	H12	120.133
C7	C5	H10	120.180	C7	C6	H11	120.180

All results from a given calculation for C₆H₅Cl (chlorobenzene)

using model chemistry: CID/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: CID/6-31G*

States and conformations

All results from a given calculation for C₆H₅Cl (chlorobenzene)