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	hartrees
Energy at 0K	-690.103440
Energy at 298.15K	-690.108537
HF Energy	-689.496588
Nuclear repulsion energy	309.179194

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3194	3064	3.67
2	A₁	3177	3048	20.19
3	A₁	3152	3025	0.11
4	A₁	1636	1569	21.33
5	A₁	1534	1471	30.41
6	A₁	1233	1183	0.00
7	A₁	1115	1070	22.83
8	A₁	1052	1009	22.57
9	A₁	1026	984	1.31
10	A₁	706	677	19.21
11	A₁	398	382	3.49
12	A₂	902	866	0.00
13	A₂	830	796	0.00
14	A₂	405	389	0.00
15	B₁	885	849	0.49
16	B₁	867	832	2.63
17	B₁	731	701	87.73
18	B₁	584	561	3.03
19	B₁	463	445	7.04
20	B₁	184	177	0.04
21	B₂	3190	3060	14.20
22	B₂	3163	3035	10.94
23	B₂	1640	1574	2.95
24	B₂	1496	1435	6.02
25	B₂	1371	1316	0.32
26	B₂	1282	1230	0.65
27	B₂	1209	1160	0.00
28	B₂	1111	1066	2.79
29	B₂	638	612	0.21
30	B₂	284	273	0.34

Atom	y (Å)	z (Å)
Cl1	0.000	2.328
C2	0.000	0.487
C3	1.226	-0.195
C4	-1.226	-0.195
C5	1.221	-1.607
C6	-1.221	-1.607
C7	0.000	-2.315
H8	2.164	0.362
H9	-2.164	0.362
H10	2.171	-2.148
H11	-2.171	-2.148
H12	0.000	-3.408

	Cl1	C2	C3	C4	C5	C6	C7	H8	H9	H10	H11	H12
Cl1		1.8410	2.8058	2.8058	4.1208	4.1208	4.6434	2.9242	2.9242	4.9749	4.9749	5.7363
C2	1.8410		1.4035	1.4035	2.4247	2.4247	2.8024	2.1681	2.1681	3.4144	3.4144	3.8952
C3	2.8058	1.4035		2.4525	1.4120	2.8255	2.4488	1.0914	3.4362	2.1691	3.9185	3.4386
C4	2.8058	1.4035	2.4525		2.8255	1.4120	2.4488	3.4362	1.0914	3.9185	2.1691	3.4386
C5	4.1208	2.4247	1.4120	2.8255		2.4424	1.4114	2.1838	3.9169	1.0929	3.4351	2.1756
C6	4.1208	2.4247	2.8255	1.4120	2.4424		1.4114	3.9169	2.1838	3.4351	1.0929	2.1756
C7	4.6434	2.8024	2.4488	2.4488	1.4114	1.4114		3.4427	3.4427	2.1776	2.1776	1.0929
H8	2.9242	2.1681	1.0914	3.4362	2.1838	3.9169	3.4427		4.3290	2.5100	5.0098	4.3473
H9	2.9242	2.1681	3.4362	1.0914	3.9169	2.1838	3.4427	4.3290		5.0098	2.5100	4.3473
H10	4.9749	3.4144	2.1691	3.9185	1.0929	3.4351	2.1776	2.5100	5.0098		4.3423	2.5103
H11	4.9749	3.4144	3.9185	2.1691	3.4351	1.0929	2.1776	5.0098	2.5100	4.3423		2.5103
H12	5.7363	3.8952	3.4386	3.4386	2.1756	2.1756	1.0929	4.3473	4.3473	2.5103	2.5103

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Cl1	C2	C3	119.106	Cl1	C2	C4	119.106
C2	C3	C5	118.901	C2	C3	H8	120.174
C2	C4	C6	118.901	C2	C4	H9	120.174
C3	C2	C4	121.788	C3	C5	C7	120.297
C3	C5	H10	119.432	C4	C6	C7	120.297
C4	C6	H11	119.432	C5	C3	H8	120.925
C5	C7	C6	119.815	C5	C7	H12	120.093
C6	C4	H9	120.925	C6	C7	H12	120.093
C7	C5	H10	120.271	C7	C6	H11	120.271

All results from a given calculation for C₆H₅Cl (chlorobenzene)

using model chemistry: CCD/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: CCD/6-31G

States and conformations

All results from a given calculation for C₆H₅Cl (chlorobenzene)