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	hartrees
Energy at 0K	-1150.004841
Energy at 298.15K
HF Energy	-1148.649082
Nuclear repulsion energy	450.084717

Atom	y (Å)	z (Å)
C1	0.000	1.380
C2	0.000	-1.380
C3	1.208	0.695
C4	-1.208	0.695
C5	-1.208	-0.695
C6	1.208	-0.695
Cl7	0.000	3.118
Cl8	0.000	-3.118
H9	2.137	1.241
H10	-2.137	1.241
H11	-2.137	-1.241
H12	2.137	-1.241

	C1	C2	C3	C4	C5	C6	Cl7	Cl8	H9	H10	H11	H12
C1		2.7592	1.3888	1.3888	2.4010	2.4010	1.7382	4.4973	2.1417	2.1417	3.3816	3.3816
C2	2.7592		2.4010	2.4010	1.3888	1.3888	4.4973	1.7382	3.3816	3.3816	2.1417	2.1417
C3	1.3888	2.4010		2.4168	2.7882	1.3902	2.7073	3.9998	1.0774	3.3899	3.8655	2.1474
C4	1.3888	2.4010	2.4168		1.3902	2.7882	2.7073	3.9998	3.3899	1.0774	2.1474	3.8655
C5	2.4010	1.3888	2.7882	1.3902		2.4168	3.9998	2.7073	3.8655	2.1474	1.0774	3.3899
C6	2.4010	1.3888	1.3902	2.7882	2.4168		3.9998	2.7073	2.1474	3.8655	3.3899	1.0774
Cl7	1.7382	4.4973	2.7073	2.7073	3.9998	3.9998		6.2355	2.8442	2.8442	4.8546	4.8546
Cl8	4.4973	1.7382	3.9998	3.9998	2.7073	2.7073	6.2355		4.8546	4.8546	2.8442	2.8442
H9	2.1417	3.3816	1.0774	3.3899	3.8655	2.1474	2.8442	4.8546		4.2744	4.9428	2.4821
H10	2.1417	3.3816	3.3899	1.0774	2.1474	3.8655	2.8442	4.8546	4.2744		2.4821	4.9428
H11	3.3816	2.1417	3.8655	2.1474	1.0774	3.3899	4.8546	2.8442	4.9428	2.4821		4.2744
H12	3.3816	2.1417	2.1474	3.8655	3.3899	1.0774	4.8546	2.8442	2.4821	4.9428	4.2744

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	C6	119.528	C1	C3	H9	120.026
C1	C4	C5	119.528	C1	C4	H10	120.026
C2	C5	C4	119.528	C2	C5	H11	120.026
C2	C6	C3	119.528	C2	C6	H12	120.026
C3	C1	C4	120.944	C3	C1	Cl7	119.528
C3	C6	H12	120.446	C4	C1	Cl7	119.528
C4	C5	H11	120.446	C5	C2	C6	120.944
C5	C2	Cl8	119.528	C5	C4	H10	120.446
C6	C2	Cl8	119.528	C6	C3	H9	120.446

All results from a given calculation for C₆H₄Cl₂ (1,4-dichlorobenzene)

using model chemistry: MP3/cc-pVTZ

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 C6H4Cl2 (1,4-dichlorobenzene)

using model chemistry: MP3/cc-pVTZ

States and conformations

All results from a given calculation for C₆H₄Cl₂ (1,4-dichlorobenzene)