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	hartrees
Energy at 0K	-690.709021
Energy at 298.15K	-690.714291
HF Energy	-689.628870
Nuclear repulsion energy	315.927729

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3264	3083	2.11
2	A₁	3254	3074	4.59
3	A₁	3233	3054	0.09
4	A₁	1626	1535	18.93
5	A₁	1507	1423	43.87
6	A₁	1204	1137	0.12
7	A₁	1127	1064	37.14
8	A₁	1047	989	10.06
9	A₁	1007	951	8.24
10	A₁	714	675	19.21
11	A₁	421	397	1.95
12	A₂	948	895	0.00
13	A₂	852	805	0.00
14	A₂	410	387	0.00
15	B₁	971	917	0.10
16	B₁	911	860	2.00
17	B₁	759	717	58.86
18	B₁	676	638	5.19
19	B₁	477	450	5.14
20	B₁	190	180	0.04
21	B₂	3261	3080	1.39
22	B₂	3242	3062	4.54
23	B₂	1631	1540	2.15
24	B₂	1473	1392	6.74
25	B₂	1460	1379	0.71
26	B₂	1324	1251	0.39
27	B₂	1187	1121	0.12
28	B₂	1101	1040	3.76
29	B₂	612	578	0.22
30	B₂	297	281	0.17

Atom	y (Å)	z (Å)
Cl1	0.000	2.245
C2	0.000	0.508
C3	1.215	-0.171
C4	-1.215	-0.171
C5	1.206	-1.565
C6	-1.206	-1.565
C7	0.000	-2.265
H8	2.145	0.384
H9	-2.145	0.384
H10	2.148	-2.102
H11	-2.148	-2.102
H12	0.000	-3.348

	Cl1	C2	C3	C4	C5	C6	C7	H8	H9	H10	H11	H12
Cl1		1.7366	2.7047	2.7047	3.9966	3.9966	4.5095	2.8397	2.8397	4.8488	4.8488	5.5929
C2	1.7366		1.3924	1.3924	2.3990	2.3990	2.7729	2.1483	2.1483	3.3805	3.3805	3.8563
C3	2.7047	1.3924		2.4304	1.3939	2.7939	2.4203	1.0827	3.4054	2.1443	3.8777	3.4010
C4	2.7047	1.3924	2.4304		2.7939	1.3939	2.4203	3.4054	1.0827	3.8777	2.1443	3.4010
C5	3.9966	2.3990	1.3939	2.7939		2.4124	1.3942	2.1633	3.8765	1.0838	3.3965	2.1523
C6	3.9966	2.3990	2.7939	1.3939	2.4124		1.3942	3.8765	2.1633	3.3965	1.0838	2.1523
C7	4.5095	2.7729	2.4203	2.4203	1.3942	1.3942		3.4078	3.4078	2.1537	2.1537	1.0833
H8	2.8397	2.1483	1.0827	3.4054	2.1633	3.8765	3.4078		4.2894	2.4861	4.9603	4.3041
H9	2.8397	2.1483	3.4054	1.0827	3.8765	2.1633	3.4078	4.2894		4.9603	2.4861	4.3041
H10	4.8488	3.3805	2.1443	3.8777	1.0838	3.3965	2.1537	2.4861	4.9603		4.2953	2.4827
H11	4.8488	3.3805	3.8777	2.1443	3.3965	1.0838	2.1537	4.9603	2.4861	4.2953		2.4827
H12	5.5929	3.8563	3.4010	3.4010	2.1523	2.1523	1.0833	4.3041	4.3041	2.4827	2.4827

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Cl1	C2	C3	119.222	Cl1	C2	C4	119.222
C2	C3	C5	118.853	C2	C3	H8	119.929
C2	C4	C6	118.853	C2	C4	H9	119.929
C3	C2	C4	121.555	C3	C5	C7	120.471
C3	C5	H10	119.332	C4	C6	C7	120.471
C4	C6	H11	119.332	C5	C3	H8	121.218
C5	C7	C6	119.796	C5	C7	H12	120.102
C6	C4	H9	121.218	C6	C7	H12	120.102
C7	C5	H10	120.197	C7	C6	H11	120.197

All results from a given calculation for C₆H₅Cl (chlorobenzene)

using model chemistry: MP2/6-31G(2df,p)

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: MP2/6-31G(2df,p)

States and conformations

All results from a given calculation for C₆H₅Cl (chlorobenzene)