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	hartrees
Energy at 0K	-681.895710
Energy at 298.15K	-681.901154
Nuclear repulsion energy	314.856651

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3751	3063	0.88
2	A₁	3739	3053	15.76
3	A₁	3716	3034	0.74
4	A₁	1920	1568	14.12
5	A₁	1769	1444	51.45
6	A₁	1362	1112	2.54
7	A₁	1323	1081	43.67
8	A₁	1201	981	0.30
9	A₁	1151	940	8.38
10	A₁	822	671	16.67
11	A₁	472	385	2.18
12	A₂	1184	967	0.00
13	A₂	1020	833	0.00
14	A₂	477	390	0.00
15	B₁	1205	984	0.05
16	B₁	1109	905	2.20
17	B₁	891	727	23.10
18	B₁	820	669	5.15
19	B₁	543	444	0.26
20	B₁	219	179	0.64
21	B₂	3746	3058	31.87
22	B₂	3731	3047	0.08
23	B₂	1910	1560	2.98
24	B₂	1720	1404	11.27
25	B₂	1533	1252	0.20
26	B₂	1369	1118	0.25
27	B₂	1260	1029	0.01
28	B₂	1151	940	0.69
29	B₂	706	576	0.04
30	B₂	312	255	1.88

Atom	y (Å)	z (Å)
Cl1	0.000	2.274
C2	0.000	0.491
C3	1.212	-0.188
C4	-1.212	-0.188
C5	1.202	-1.575
C6	-1.202	-1.575
C7	0.000	-2.267
H8	2.143	0.363
H9	-2.143	0.363
H10	2.141	-2.114
H11	-2.141	-2.114
H12	0.000	-3.349

	Cl1	C2	C3	C4	C5	C6	C7	H8	H9	H10	H11	H12
Cl1		1.7836	2.7441	2.7441	4.0322	4.0322	4.5410	2.8716	2.8716	4.8829	4.8829	5.6235
C2	1.7836		1.3886	1.3886	2.3896	2.3896	2.7574	2.1470	2.1470	3.3718	3.3718	3.8399
C3	2.7441	1.3886		2.4232	1.3867	2.7838	2.4062	1.0823	3.3997	2.1389	3.8665	3.3856
C4	2.7441	1.3886	2.4232		2.7838	1.3867	2.4062	3.3997	1.0823	3.8665	2.1389	3.3856
C5	4.0322	2.3896	1.3867	2.7838		2.4046	1.3874	2.1539	3.8661	1.0827	3.3864	2.1437
C6	4.0322	2.3896	2.7838	1.3867	2.4046		1.3874	3.8661	2.1539	3.3864	1.0827	2.1437
C7	4.5410	2.7574	2.4062	2.4062	1.3874	1.3874		3.3925	3.3925	2.1462	2.1462	1.0825
H8	2.8716	2.1470	1.0823	3.3997	2.1539	3.8661	3.3925		4.2864	2.4774	4.9487	4.2865
H9	2.8716	2.1470	3.3997	1.0823	3.8661	2.1539	3.3925	4.2864		4.9487	2.4774	4.2865
H10	4.8829	3.3718	2.1389	3.8665	1.0827	3.3864	2.1462	2.4774	4.9487		4.2816	2.4714
H11	4.8829	3.3718	3.8665	2.1389	3.3864	1.0827	2.1462	4.9487	2.4774	4.2816		2.4714
H12	5.6235	3.8399	3.3856	3.3856	2.1437	2.1437	1.0825	4.2865	4.2865	2.4714	2.4714

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Cl1	C2	C3	119.248	Cl1	C2	C4	119.248
C2	C3	C5	118.866	C2	C3	H8	120.155
C2	C4	C6	118.866	C2	C4	H9	120.155
C3	C2	C4	121.504	C3	C5	C7	120.317
C3	C5	H10	119.529	C4	C6	C7	120.317
C4	C6	H11	119.529	C5	C3	H8	120.980
C5	C7	C6	120.132	C5	C7	H12	119.934
C6	C4	H9	120.980	C6	C7	H12	119.934
C7	C5	H10	120.155	C7	C6	H11	120.155

All results from a given calculation for C₆H₅Cl (chlorobenzene)

using model chemistry: HF/STO-3G

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	-0.158
2	C	0.048
3	C	-0.056
4	C	-0.056
5	C	-0.055
6	C	-0.055
7	C	-0.058
8	H	0.085
9	H	0.085
10	H	0.074
11	H	0.074
12	H	0.072

<r²>	251.914
(<r²>)^1/2	15.872

All results from a given calculation for C6H5Cl (chlorobenzene)

using model chemistry: HF/STO-3G

States and conformations

All results from a given calculation for C₆H₅Cl (chlorobenzene)