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	hartrees
Energy at 0K	-690.760965
Energy at 298.15K	-690.765933
HF Energy	-689.665564
Nuclear repulsion energy	315.290685

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3240	3069	4.57
2	A₁	3231	3060	9.91
3	A₁	3211	3041	0.16
4	A₁	1642	1555	24.09
5	A₁	1520	1439	47.85
6	A₁	1211	1147	0.01
7	A₁	1134	1074	37.78
8	A₁	1050	994	13.11
9	A₁	1011	957	7.36
10	A₁	721	683	19.55
11	A₁	424	402	1.98
12	A₂	875	829	0.00
13	A₂	810	767	0.00
14	A₂	398	377	0.00
15	B₁	869	823	0.03
16	B₁	841	797	0.50
17	B₁	718	680	102.63
18	B₁	449	425	9.54
19	B₁	414	392	0.02
20	B₁	185	175	0.35
21	B₂	3237	3066	8.43
22	B₂	3219	3049	6.31
23	B₂	1640	1553	2.57
24	B₂	1485	1406	7.79
25	B₂	1453	1377	0.53
26	B₂	1338	1267	0.16
27	B₂	1196	1133	0.11
28	B₂	1106	1047	4.36
29	B₂	622	589	0.28
30	B₂	298	282	0.00

Atom	y (Å)	z (Å)
Cl1	0.000	2.250
C2	0.000	0.513
C3	1.215	-0.173
C4	-1.215	-0.173
C5	1.208	-1.569
C6	-1.208	-1.569
C7	0.000	-2.271
H8	2.148	0.382
H9	-2.148	0.382
H10	2.152	-2.106
H11	-2.152	-2.106
H12	0.000	-3.357

	Cl1	C2	C3	C4	C5	C6	C7	H8	H9	H10	H11	H12
Cl1		1.7371	2.7106	2.7106	4.0061	4.0061	4.5217	2.8471	2.8471	4.8595	4.8595	5.6077
C2	1.7371		1.3955	1.3955	2.4076	2.4076	2.7846	2.1523	2.1523	3.3906	3.3906	3.8706
C3	2.7106	1.3955		2.4306	1.3967	2.7970	2.4252	1.0854	3.4090	2.1490	3.8834	3.4087
C4	2.7106	1.3955	2.4306		2.7970	1.3967	2.4252	3.4090	1.0854	3.8834	2.1490	3.4087
C5	4.0061	2.4076	1.3967	2.7970		2.4162	1.3973	2.1659	3.8824	1.0864	3.4032	2.1580
C6	4.0061	2.4076	2.7970	1.3967	2.4162		1.3973	3.8824	2.1659	3.4032	1.0864	2.1580
C7	4.5217	2.7846	2.4252	2.4252	1.3973	1.3973		3.4140	3.4140	2.1587	2.1587	1.0860
H8	2.8471	2.1523	1.0854	3.4090	2.1659	3.8824	3.4140		4.2967	2.4885	4.9687	4.3125
H9	2.8471	2.1523	3.4090	1.0854	3.8824	2.1659	3.4140	4.2967		4.9687	2.4885	4.3125
H10	4.8595	3.3906	2.1490	3.8834	1.0864	3.4032	2.1587	2.4885	4.9687		4.3048	2.4894
H11	4.8595	3.3906	3.8834	2.1490	3.4032	1.0864	2.1587	4.9687	2.4885	4.3048		2.4894
H12	5.6077	3.8706	3.4087	3.4087	2.1580	2.1580	1.0860	4.3125	4.3125	2.4894	2.4894

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Cl1	C2	C3	119.440	Cl1	C2	C4	119.440
C2	C3	C5	119.145	C2	C3	H8	119.834
C2	C4	C6	119.145	C2	C4	H9	119.834
C3	C2	C4	121.121	C3	C5	C7	120.458
C3	C5	H10	119.343	C4	C6	C7	120.458
C4	C6	H11	119.343	C5	C3	H8	121.021
C5	C7	C6	119.673	C5	C7	H12	120.164
C6	C4	H9	121.021	C6	C7	H12	120.164
C7	C5	H10	120.199	C7	C6	H11	120.199

All results from a given calculation for C₆H₅Cl (chlorobenzene)

using model chemistry: MP2=FULL/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: MP2=FULL/6-311G*

States and conformations

All results from a given calculation for C₆H₅Cl (chlorobenzene)