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	hartrees
Energy at 0K	-690.587248
Energy at 298.15K	-690.592117
HF Energy	-689.618409
Nuclear repulsion energy	315.423759

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3285	3085	4.72
2	A₁	3275	3076	8.98
3	A₁	3256	3058	0.20
4	A₁	1657	1556	26.81
5	A₁	1534	1441	38.18
6	A₁	1221	1147	0.03
7	A₁	1139	1070	38.48
8	A₁	1056	992	15.16
9	A₁	1019	957	5.47
10	A₁	724	680	18.61
11	A₁	425	399	2.37
12	A₂	911	855	0.00
13	A₂	826	776	0.00
14	A₂	387	364	0.00
15	B₁	898	844	0.13
16	B₁	860	807	0.30
17	B₁	726	682	103.91
18	B₁	431	405	6.14
19	B₁	315	296	0.79
20	B₁	176	166	0.38
21	B₂	3281	3082	7.86
22	B₂	3264	3065	5.96
23	B₂	1654	1553	2.05
24	B₂	1498	1407	4.59
25	B₂	1465	1376	0.20
26	B₂	1351	1269	0.19
27	B₂	1205	1132	0.07
28	B₂	1115	1047	4.70
29	B₂	625	587	0.21
30	B₂	301	282	0.05

Atom	y (Å)	z (Å)
Cl1	0.000	2.251
C2	0.000	0.513
C3	1.215	-0.173
C4	-1.215	-0.173
C5	1.207	-1.569
C6	-1.207	-1.569
C7	0.000	-2.271
H8	2.145	0.377
H9	-2.145	0.377
H10	2.148	-2.104
H11	-2.148	-2.104
H12	0.000	-3.353

	Cl1	C2	C3	C4	C5	C6	C7	H8	H9	H10	H11	H12
Cl1		1.7384	2.7117	2.7117	4.0067	4.0067	4.5225	2.8484	2.8484	4.8562	4.8562	5.6042
C2	1.7384		1.3949	1.3949	2.4067	2.4067	2.7841	2.1495	2.1495	3.3855	3.3855	3.8657
C3	2.7117	1.3949		2.4292	1.3960	2.7954	2.4243	1.0812	3.4046	2.1447	3.8774	3.4038
C4	2.7117	1.3949	2.4292		2.7954	1.3960	2.4243	3.4046	1.0812	3.8774	2.1447	3.4038
C5	4.0067	2.4067	1.3960	2.7954		2.4145	1.3966	2.1607	3.8766	1.0821	3.3974	2.1539
C6	4.0067	2.4067	2.7954	1.3960	2.4145		1.3966	3.8766	2.1607	3.3974	1.0821	2.1539
C7	4.5225	2.7841	2.4243	2.4243	1.3966	1.3966		3.4084	3.4084	2.1543	2.1543	1.0816
H8	2.8484	2.1495	1.0812	3.4046	2.1607	3.8766	3.4084		4.2904	2.4815	4.9586	4.3031
H9	2.8484	2.1495	3.4046	1.0812	3.8766	2.1607	3.4084	4.2904		4.9586	2.4815	4.3031
H10	4.8562	3.3855	2.1447	3.8774	1.0821	3.3974	2.1543	2.4815	4.9586		4.2956	2.4844
H11	4.8562	3.3855	3.8774	2.1447	3.3974	1.0821	2.1543	4.9586	2.4815	4.2956		2.4844
H12	5.6042	3.8657	3.4038	3.4038	2.1539	2.1539	1.0816	4.3031	4.3031	2.4844	2.4844

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Cl1	C2	C3	119.457	Cl1	C2	C4	119.457
C2	C3	C5	119.156	C2	C3	H8	119.934
C2	C4	C6	119.156	C2	C4	H9	119.934
C3	C2	C4	121.085	C3	C5	C7	120.482
C3	C5	H10	119.330	C4	C6	C7	120.482
C4	C6	H11	119.330	C5	C3	H8	120.911
C5	C7	C6	119.639	C5	C7	H12	120.181
C6	C4	H9	120.911	C6	C7	H12	120.181
C7	C5	H10	120.187	C7	C6	H11	120.187

All results from a given calculation for C₆H₅Cl (chlorobenzene)

using model chemistry: MP2=FULL/6-31+G**

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: MP2=FULL/6-31+G**

States and conformations

All results from a given calculation for C₆H₅Cl (chlorobenzene)