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	hartrees
Energy at 0K	-690.975483
Energy at 298.15K	-690.980873
HF Energy	-689.715596
Nuclear repulsion energy	317.368144

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3265	3100	1.67
2	A₁	3250	3085	7.22
3	A₁	3218	3055	0.08
4	A₁	1642	1559	22.16
5	A₁	1518	1441	41.39
6	A₁	1209	1148	0.15
7	A₁	1133	1076	38.51
8	A₁	1054	1000	11.11
9	A₁	1025	974	3.51
10	A₁	720	684	18.22
11	A₁	424	403	2.06
12	A₂	993	943	0.00
13	A₂	865	821	0.00
14	A₂	421	399	0.00
15	B₁	1004	953	0.12
16	B₁	941	893	3.28
17	B₁	779	740	58.02
18	B₁	717	681	20.26
19	B₁	489	465	8.30
20	B₁	193	183	0.15
21	B₂	3261	3096	2.77
22	B₂	3231	3068	5.49
23	B₂	1641	1558	2.34
24	B₂	1486	1411	4.41
25	B₂	1470	1396	1.77
26	B₂	1332	1264	0.36
27	B₂	1198	1137	0.15
28	B₂	1105	1050	4.90
29	B₂	620	589	0.23
30	B₂	297	282	0.11

Atom	y (Å)	z (Å)
Cl1	0.000	2.239
C2	0.000	0.505
C3	1.208	-0.172
C4	-1.208	-0.172
C5	1.201	-1.560
C6	-1.201	-1.560
C7	0.000	-2.256
H8	2.131	0.378
H9	-2.131	0.378
H10	2.136	-2.093
H11	-2.136	-2.093
H12	0.000	-3.332

	Cl1	C2	C3	C4	C5	C6	C7	H8	H9	H10	H11	H12
Cl1		1.7338	2.6967	2.6967	3.9837	3.9837	4.4950	2.8289	2.8289	4.8294	4.8294	5.5710
C2	1.7338		1.3846	1.3846	2.3883	2.3883	2.7612	2.1346	2.1346	3.3629	3.3629	3.8371
C3	2.6967	1.3846		2.4151	1.3873	2.7791	2.4085	1.0749	3.3835	2.1328	3.8555	3.3827
C4	2.6967	1.3846	2.4151		2.7791	1.3873	2.4085	3.3835	1.0749	3.8555	2.1328	3.3827
C5	3.9837	2.3883	1.3873	2.7791		2.4010	1.3880	2.1495	3.8540	1.0764	3.3786	2.1408
C6	3.9837	2.3883	2.7791	1.3873	2.4010		1.3880	3.8540	2.1495	3.3786	1.0764	2.1408
C7	4.4950	2.7612	2.4085	2.4085	1.3880	1.3880		3.3882	3.3882	2.1420	2.1420	1.0759
H8	2.8289	2.1346	1.0749	3.3835	2.1495	3.8540	3.3882		4.2617	2.4707	4.9303	4.2786
H9	2.8289	2.1346	3.3835	1.0749	3.8540	2.1495	3.3882	4.2617		4.9303	2.4707	4.2786
H10	4.8294	3.3629	2.1328	3.8555	1.0764	3.3786	2.1420	2.4707	4.9303		4.2715	2.4694
H11	4.8294	3.3629	3.8555	2.1328	3.3786	1.0764	2.1420	4.9303	2.4707	4.2715		2.4694
H12	5.5710	3.8371	3.3827	3.3827	2.1408	2.1408	1.0759	4.2786	4.2786	2.4694	2.4694

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Cl1	C2	C3	119.290	Cl1	C2	C4	119.290
C2	C3	C5	118.999	C2	C3	H8	119.907
C2	C4	C6	118.999	C2	C4	H9	119.907
C3	C2	C4	121.421	C3	C5	C7	120.414
C3	C5	H10	119.387	C4	C6	C7	120.414
C4	C6	H11	119.387	C5	C3	H8	121.094
C5	C7	C6	119.753	C5	C7	H12	120.123
C6	C4	H9	121.094	C6	C7	H12	120.123
C7	C5	H10	120.199	C7	C6	H11	120.199

All results from a given calculation for C₆H₅Cl (chlorobenzene)

using model chemistry: MP2=FULL/cc-pVTZ

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/cc-pVTZ

States and conformations

All results from a given calculation for C₆H₅Cl (chlorobenzene)