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	hartrees
Energy at 0K	-51.434568
Energy at 298.15K	-51.439785
HF Energy	-50.530152
Nuclear repulsion energy	130.575756

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3232	3080	3.59
2	A	3230	3077	10.20
3	A	3223	3071	15.16
4	A	3211	3059	9.20
5	A	3202	3051	0.16
6	A	1620	1544	2.72
7	A	1619	1543	25.26
8	A	1505	1434	43.42
9	A	1469	1400	6.35
10	A	1430	1362	0.05
11	A	1333	1271	0.36
12	A	1202	1145	0.02
13	A	1183	1127	0.14
14	A	1120	1067	40.78
15	A	1094	1042	5.10
16	A	1047	997	1.45
17	A	1034	985	20.18
18	A	1009	961	2.73
19	A	941	896	5.19
20	A	897	854	3.00
21	A	840	800	0.02
22	A	748	713	81.82
23	A	712	679	20.90
24	A	696	663	25.44
25	A	615	586	0.29
26	A	453	432	9.03
27	A	418	398	2.51
28	A	399	380	0.07
29	A	294	280	0.12
30	A	184	175	0.29

Atom	x (Å)	y (Å)	z (Å)
Cl1	2.603	-0.000	-0.000
C2	0.847	0.000	-0.016
C3	0.163	1.227	0.017
C4	0.163	-1.227	0.017
C5	-1.244	1.217	-0.015
C6	-1.244	-1.217	-0.016
C7	-1.950	-0.000	0.015
H8	0.720	2.160	-0.004
H9	0.720	-2.160	-0.004
H10	-1.783	2.163	0.006
H11	-1.783	-2.163	0.007
H12	-3.038	-0.000	-0.010

	Cl1	C2	C3	C4	C5	C6	C7	H8	H9	H10	H11	H12
Cl1		1.7562	2.7316	2.7316	4.0355	4.0355	4.5533	2.8663	2.8662	4.8906	4.8905	5.6410
C2	1.7562		1.4051	1.4051	2.4199	2.4199	2.7974	2.1641	2.1641	3.4054	3.4053	3.8849
C3	2.7316	1.4051		2.4534	1.4073	2.8203	2.4431	1.0873	3.4324	2.1594	3.9083	3.4276
C4	2.7316	1.4051	2.4534		2.8203	1.4072	2.4430	3.4325	1.0872	3.9083	2.1591	3.4275
C5	4.0355	2.4199	1.4073	2.8203		2.4349	1.4076	2.1784	3.9070	1.0884	3.4230	2.1678
C6	4.0355	2.4199	2.8203	1.4072	2.4349		1.4076	3.9071	2.1782	3.4231	1.0884	2.1677
C7	4.5533	2.7974	2.4431	2.4430	1.4076	1.4076		3.4342	3.4341	2.1693	2.1693	1.0880
H8	2.8663	2.1641	1.0873	3.4325	2.1784	3.9071	3.4342		4.3205	2.5027	4.9952	4.3341
H9	2.8662	2.1641	3.4324	1.0872	3.9070	2.1782	3.4341	4.3205		4.9952	2.5024	4.3339
H10	4.8906	3.4054	2.1594	3.9083	1.0884	3.4231	2.1693	2.5027	4.9952		4.3257	2.5005
H11	4.8905	3.4053	3.9083	2.1591	3.4230	1.0884	2.1693	4.9952	2.5024	4.3257		2.5004
H12	5.6410	3.8849	3.4276	3.4275	2.1678	2.1677	1.0880	4.3341	4.3339	2.5005	2.5004

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Cl1	C2	C3	119.139	Cl1	C2	C4	119.136
C2	C3	C5	118.733	C2	C3	H8	119.982
C2	C4	C6	118.732	C2	C4	H9	119.983
C3	C2	C4	121.623	C3	C5	C7	120.429
C3	C5	H10	119.266	C4	C6	C7	120.432
C4	C6	H11	119.256	C5	C3	H8	121.141
C5	C7	C6	119.743	C5	C7	H12	120.060
C6	C4	H9	121.143	C6	C7	H12	120.052
C7	C5	H10	120.167	C7	C6	H11	120.170

All results from a given calculation for C₆H₅Cl (chlorobenzene)

using model chemistry: MP2/CEP-121G*

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/CEP-121G*

States and conformations

All results from a given calculation for C₆H₅Cl (chlorobenzene)