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	hartrees
Energy at 0K	-690.523718
Energy at 298.15K	-690.528879
HF Energy	-689.602317
Nuclear repulsion energy	315.305487

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3269	3068	2.23
2	A₁	3257	3057	13.53
3	A₁	3236	3038	0.02
4	A₁	1695	1591	21.13
5	A₁	1561	1465	44.20
6	A₁	1237	1161	0.01
7	A₁	1152	1082	33.14
8	A₁	1073	1007	11.09
9	A₁	1029	966	8.37
10	A₁	732	687	19.74
11	A₁	428	402	2.57
12	A₂	920	864	0.00
13	A₂	841	789	0.00
14	A₂	408	383	0.00
15	B₁	914	858	0.20
16	B₁	877	823	0.94
17	B₁	742	697	84.00
18	B₁	542	509	0.08
19	B₁	467	438	5.59
20	B₁	191	179	0.08
21	B₂	3266	3065	7.78
22	B₂	3245	3046	7.81
23	B₂	1690	1587	2.71
24	B₂	1522	1428	7.58
25	B₂	1369	1285	0.23
26	B₂	1309	1228	0.09
27	B₂	1209	1135	0.02
28	B₂	1131	1061	3.55
29	B₂	636	597	0.22
30	B₂	303	285	0.15

Atom	y (Å)	z (Å)
Cl1	0.000	2.254
C2	0.000	0.508
C3	1.214	-0.175
C4	-1.214	-0.175
C5	1.206	-1.570
C6	-1.206	-1.570
C7	0.000	-2.270
H8	2.147	0.379
H9	-2.147	0.379
H10	2.150	-2.108
H11	-2.150	-2.108
H12	0.000	-3.356

	Cl1	C2	C3	C4	C5	C6	C7	H8	H9	H10	H11	H12
Cl1		1.7461	2.7155	2.7155	4.0095	4.0095	4.5237	2.8509	2.8509	4.8628	4.8628	5.6096
C2	1.7461		1.3929	1.3929	2.4025	2.4025	2.7776	2.1510	2.1510	3.3858	3.3858	3.8635
C3	2.7155	1.3929		2.4281	1.3947	2.7935	2.4211	1.0849	3.4064	2.1474	3.8797	3.4044
C4	2.7155	1.3929	2.4281		2.7935	1.3947	2.4211	3.4064	1.0849	3.8797	2.1474	3.4044
C5	4.0095	2.4025	1.3947	2.7935		2.4129	1.3949	2.1634	3.8784	1.0861	3.3993	2.1553
C6	4.0095	2.4025	2.7935	1.3947	2.4129		1.3949	3.8784	2.1634	3.3993	1.0861	2.1553
C7	4.5237	2.7776	2.4211	2.4211	1.3949	1.3949		3.4093	3.4093	2.1561	2.1561	1.0859
H8	2.8509	2.1510	1.0849	3.4064	2.1634	3.8784	3.4093		4.2943	2.4862	4.9645	4.3074
H9	2.8509	2.1510	3.4064	1.0849	3.8784	2.1634	3.4093	4.2943		4.9645	2.4862	4.3074
H10	4.8628	3.3858	2.1474	3.8797	1.0861	3.3993	2.1561	2.4862	4.9645		4.2999	2.4859
H11	4.8628	3.3858	3.8797	2.1474	3.3993	1.0861	2.1561	4.9645	2.4862	4.2999		2.4859
H12	5.6096	3.8635	3.4044	3.4044	2.1553	2.1553	1.0859	4.3074	4.3074	2.4859	2.4859

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Cl1	C2	C3	119.357	Cl1	C2	C4	119.357
C2	C3	C5	119.047	C2	C3	H8	119.968
C2	C4	C6	119.047	C2	C4	H9	119.968
C3	C2	C4	121.285	C3	C5	C7	120.435
C3	C5	H10	119.383	C4	C6	C7	120.435
C4	C6	H11	119.383	C5	C3	H8	120.985
C5	C7	C6	119.750	C5	C7	H12	120.125
C6	C4	H9	120.985	C6	C7	H12	120.125
C7	C5	H10	120.182	C7	C6	H11	120.182

All results from a given calculation for C₆H₅Cl (chlorobenzene)

using model chemistry: MP3/6-31G*

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: MP3/6-31G*

States and conformations

All results from a given calculation for C₆H₅Cl (chlorobenzene)