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	hartrees
Energy at 0K	-690.675497
Energy at 298.15K	-690.680611
Nuclear repulsion energy	314.631324

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3230	3082	2.40
2	A₁	3218	3070	14.60
3	A₁	3195	3048	0.08
4	A₁	1656	1580	23.75
5	A₁	1527	1457	39.42
6	A₁	1205	1149	0.01
7	A₁	1133	1081	40.48
8	A₁	1048	1000	10.25
9	A₁	1008	962	7.07
10	A₁	718	686	19.48
11	A₁	422	403	2.13
12	A₂	939	895	0.00
13	A₂	838	799	0.00
14	A₂	403	384	0.00
15	B₁	926	884	0.07
16	B₁	879	839	0.64
17	B₁	733	699	83.00
18	B₁	495	473	0.04
19	B₁	454	433	8.52
20	B₁	187	178	0.24
21	B₂	3227	3079	10.02
22	B₂	3205	3058	8.04
23	B₂	1653	1577	2.01
24	B₂	1488	1419	6.53
25	B₂	1344	1282	0.19
26	B₂	1275	1216	0.07
27	B₂	1173	1119	0.01
28	B₂	1103	1052	2.60
29	B₂	624	596	0.22
30	B₂	297	283	0.01

Atom	y (Å)	z (Å)
Cl1	0.000	2.257
C2	0.000	0.512
C3	1.217	-0.174
C4	-1.217	-0.174
C5	1.210	-1.573
C6	-1.210	-1.573
C7	0.000	-2.276
H8	2.150	0.380
H9	-2.150	0.380
H10	2.155	-2.111
H11	-2.155	-2.111
H12	0.000	-3.362

	Cl1	C2	C3	C4	C5	C6	C7	H8	H9	H10	H11	H12
Cl1		1.7455	2.7188	2.7188	4.0171	4.0171	4.5331	2.8544	2.8544	4.8710	4.8710	5.6197
C2	1.7455		1.3969	1.3969	2.4107	2.4107	2.7876	2.1544	2.1544	3.3945	3.3945	3.8742
C3	2.7188	1.3969		2.4340	1.3992	2.8017	2.4288	1.0855	3.4127	2.1523	3.8886	3.4128
C4	2.7188	1.3969	2.4340		2.8017	1.3992	2.4288	3.4127	1.0855	3.8886	2.1523	3.4128
C5	4.0171	2.4107	1.3992	2.8017		2.4207	1.3995	2.1678	3.8872	1.0869	3.4078	2.1602
C6	4.0171	2.4107	2.8017	1.3992	2.4207		1.3995	3.8872	2.1678	3.4078	1.0869	2.1602
C7	4.5331	2.7876	2.4288	2.4288	1.3995	1.3995		3.4175	3.4175	2.1610	2.1610	1.0866
H8	2.8544	2.1544	1.0855	3.4127	2.1678	3.8872	3.4175		4.3008	2.4915	4.9741	4.3164
H9	2.8544	2.1544	3.4127	1.0855	3.8872	2.1678	3.4175	4.3008		4.9741	2.4915	4.3164
H10	4.8710	3.3945	2.1523	3.8886	1.0869	3.4078	2.1610	2.4915	4.9741		4.3094	2.4916
H11	4.8710	3.3945	3.8886	2.1523	3.4078	1.0869	2.1610	4.9741	2.4915	4.3094		2.4916
H12	5.6197	3.8742	3.4128	3.4128	2.1602	2.1602	1.0866	4.3164	4.3164	2.4916	2.4916

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Cl1	C2	C3	119.398	Cl1	C2	C4	119.398
C2	C3	C5	119.125	C2	C3	H8	119.904
C2	C4	C6	119.125	C2	C4	H9	119.904
C3	C2	C4	121.205	C3	C5	C7	120.412
C3	C5	H10	119.401	C4	C6	C7	120.412
C4	C6	H11	119.401	C5	C3	H8	120.971
C5	C7	C6	119.721	C5	C7	H12	120.139
C6	C4	H9	120.971	C6	C7	H12	120.139
C7	C5	H10	120.187	C7	C6	H11	120.187

All results from a given calculation for C₆H₅Cl (chlorobenzene)

using model chemistry: QCISD/6-311G**

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: QCISD/6-311G**

States and conformations

All results from a given calculation for C₆H₅Cl (chlorobenzene)