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	hartrees
Energy at 0K	-690.845674
Energy at 298.15K	-690.850905
HF Energy	-689.714002
Nuclear repulsion energy	316.295091

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3246	3089	3.10
2	A₁	3236	3079	5.59
3	A₁	3215	3059	0.12
4	A₁	1628	1549	21.62
5	A₁	1507	1434	39.72
6	A₁	1197	1139	0.01
7	A₁	1122	1068	38.66
8	A₁	1044	994	11.57
9	A₁	1012	963	4.50
10	A₁	715	680	18.30
11	A₁	421	401	2.12
12	A₂	955	909	0.00
13	A₂	845	804	0.00
14	A₂	410	390	0.00
15	B₁	943	897	0.07
16	B₁	903	859	2.20
17	B₁	751	714	78.36
18	B₁	626	596	3.71
19	B₁	475	452	8.02
20	B₁	188	179	0.21
21	B₂	3242	3085	3.64
22	B₂	3223	3067	4.58
23	B₂	1628	1549	2.24
24	B₂	1476	1404	4.54
25	B₂	1456	1385	1.00
26	B₂	1323	1259	0.31
27	B₂	1181	1124	0.11
28	B₂	1096	1043	5.02
29	B₂	615	585	0.22
30	B₂	296	282	0.10

Atom	y (Å)	z (Å)
Cl1	0.000	2.243
C2	0.000	0.509
C3	1.213	-0.171
C4	-1.213	-0.171
C5	1.205	-1.564
C6	-1.205	-1.564
C7	0.000	-2.263
H8	2.141	0.382
H9	-2.141	0.382
H10	2.144	-2.100
H11	-2.144	-2.100
H12	0.000	-3.344

	Cl1	C2	C3	C4	C5	C6	C7	H8	H9	H10	H11	H12
Cl1		1.7342	2.7022	2.7022	3.9935	3.9935	4.5065	2.8369	2.8369	4.8435	4.8435	5.5871
C2	1.7342		1.3908	1.3908	2.3979	2.3979	2.7723	2.1444	2.1444	3.3769	3.3769	3.8529
C3	2.7022	1.3908		2.4261	1.3928	2.7904	2.4182	1.0800	3.3990	2.1415	3.8715	3.3965
C4	2.7022	1.3908	2.4261		2.7904	1.3928	2.4182	3.3990	1.0800	3.8715	2.1415	3.3965
C5	3.9935	2.3979	1.3928	2.7904		2.4098	1.3930	2.1592	3.8703	1.0811	3.3914	2.1492
C6	3.9935	2.3979	2.7904	1.3928	2.4098		1.3930	3.8703	2.1592	3.3914	1.0811	2.1492
C7	4.5065	2.7723	2.4182	2.4182	1.3930	1.3930		3.4027	3.4027	2.1501	2.1501	1.0806
H8	2.8369	2.1444	1.0800	3.3990	2.1592	3.8703	3.4027		4.2813	2.4816	4.9514	4.2968
H9	2.8369	2.1444	3.3990	1.0800	3.8703	2.1592	3.4027	4.2813		4.9514	2.4816	4.2968
H10	4.8435	3.3769	2.1415	3.8715	1.0811	3.3914	2.1501	2.4816	4.9514		4.2878	2.4787
H11	4.8435	3.3769	3.8715	2.1415	3.3914	1.0811	2.1501	4.9514	2.4816	4.2878		2.4787
H12	5.5871	3.8529	3.3965	3.3965	2.1492	2.1492	1.0806	4.2968	4.2968	2.4787	2.4787

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Cl1	C2	C3	119.290	Cl1	C2	C4	119.290
C2	C3	C5	118.955	C2	C3	H8	119.906
C2	C4	C6	118.955	C2	C4	H9	119.906
C3	C2	C4	121.420	C3	C5	C7	120.458
C3	C5	H10	119.372	C4	C6	C7	120.458
C4	C6	H11	119.372	C5	C3	H8	121.139
C5	C7	C6	119.754	C5	C7	H12	120.123
C6	C4	H9	121.139	C6	C7	H12	120.123
C7	C5	H10	120.170	C7	C6	H11	120.170

All results from a given calculation for C₆H₅Cl (chlorobenzene)

using model chemistry: MP2/Def2TZVPP

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/Def2TZVPP

States and conformations

All results from a given calculation for C₆H₅Cl (chlorobenzene)