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	hartrees
Energy at 0K	-690.565560
Energy at 298.15K
HF Energy	-689.611702
Nuclear repulsion energy	315.535182

Atom	y (Å)	z (Å)
Cl1	0.000	2.255
C2	0.000	0.509
C3	1.215	-0.175
C4	-1.215	-0.175
C5	1.207	-1.571
C6	-1.207	-1.571
C7	0.000	-2.271
H8	2.144	0.375
H9	-2.144	0.375
H10	2.146	-2.106
H11	-2.146	-2.106
H12	0.000	-3.352

	Cl1	C2	C3	C4	C5	C6	C7	H8	H9	H10	H11	H12
Cl1		1.7463	2.7169	2.7169	4.0119	4.0119	4.5264	2.8516	2.8516	4.8608	4.8608	5.6069
C2	1.7463		1.3939	1.3939	2.4047	2.4047	2.7801	2.1478	2.1478	3.3829	3.3829	3.8606
C3	2.7169	1.3939		2.4291	1.3956	2.7951	2.4225	1.0795	3.4028	2.1440	3.8758	3.4008
C4	2.7169	1.3939	2.4291		2.7951	1.3956	2.4225	3.4028	1.0795	3.8758	2.1440	3.4008
C5	4.0119	2.4047	1.3956	2.7951		2.4145	1.3958	2.1589	3.8746	1.0807	3.3957	2.1515
C6	4.0119	2.4047	2.7951	1.3956	2.4145		1.3958	3.8746	2.1589	3.3957	1.0807	2.1515
C7	4.5264	2.7801	2.4225	2.4225	1.3958	1.3958		3.4052	3.4052	2.1523	2.1523	1.0805
H8	2.8516	2.1478	1.0795	3.4028	2.1589	3.8746	3.4052		4.2871	2.4808	4.9552	4.2988
H9	2.8516	2.1478	3.4028	1.0795	3.8746	2.1589	3.4052	4.2871		4.9552	2.4808	4.2988
H10	4.8608	3.3829	2.1440	3.8758	1.0807	3.3957	2.1523	2.4808	4.9552		4.2920	2.4812
H11	4.8608	3.3829	3.8758	2.1440	3.3957	1.0807	2.1523	4.9552	2.4808	4.2920		2.4812
H12	5.6069	3.8606	3.4008	3.4008	2.1515	2.1515	1.0805	4.2988	4.2988	2.4812	2.4812

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Cl1	C2	C3	119.388	Cl1	C2	C4	119.388
C2	C3	C5	119.090	C2	C3	H8	119.999
C2	C4	C6	119.090	C2	C4	H9	119.999
C3	C2	C4	121.223	C3	C5	C7	120.421
C3	C5	H10	119.401	C4	C6	C7	120.421
C4	C6	H11	119.401	C5	C3	H8	120.911
C5	C7	C6	119.754	C5	C7	H12	120.123
C6	C4	H9	120.911	C6	C7	H12	120.123
C7	C5	H10	120.178	C7	C6	H11	120.178

All results from a given calculation for C₆H₅Cl (chlorobenzene)

using model chemistry: MP3/6-31+G**

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: MP3/6-31+G**

States and conformations

All results from a given calculation for C₆H₅Cl (chlorobenzene)