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	hartrees
Energy at 0K	-1150.028063
Energy at 298.15K
HF Energy	-1148.650925
Nuclear repulsion energy	453.303216

Atom	y (Å)	z (Å)
C1	0.000	2.072
C2	1.210	1.386
C3	-1.210	1.386
C4	1.192	-0.003
C5	-1.192	-0.003
C6	0.000	-0.717
Cl7	2.696	-0.879
Cl8	-2.696	-0.879
H9	0.000	3.154
H10	2.152	1.914
H11	-2.152	1.914
H12	0.000	-1.796

	C1	C2	C3	C4	C5	C6	Cl7	Cl8	H9	H10	H11	H12
C1		1.3916	1.3916	2.3938	2.3938	2.7892	3.9975	3.9975	1.0813	2.1582	2.1582	3.8685
C2	1.3916		2.4209	1.3893	2.7754	2.4262	2.7087	4.5155	2.1426	1.0798	3.4040	3.4044
C3	1.3916	2.4209		2.7754	1.3893	2.4262	4.5155	2.7087	2.1426	3.4040	1.0798	3.4044
C4	2.3938	1.3893	2.7754		2.3846	1.3895	1.7401	3.9856	3.3747	2.1441	3.8552	2.1530
C5	2.3938	2.7754	1.3893	2.3846		1.3895	3.9856	1.7401	3.3747	3.8552	2.1441	2.1530
C6	2.7892	2.4262	2.4262	1.3895	1.3895		2.7007	2.7007	3.8705	3.3990	3.3990	1.0793
Cl7	3.9975	2.7087	4.5155	1.7401	3.9856	2.7007		5.3916	4.8510	2.8455	5.5952	2.8474
Cl8	3.9975	4.5155	2.7087	3.9856	1.7401	2.7007	5.3916		4.8510	5.5952	2.8455	2.8474
H9	1.0813	2.1426	2.1426	3.3747	3.3747	3.8705	4.8510	4.8510		2.4839	2.4839	4.9498
H10	2.1582	1.0798	3.4040	2.1441	3.8552	3.3990	2.8455	5.5952	2.4839		4.3047	4.2891
H11	2.1582	3.4040	1.0798	3.8552	2.1441	3.3990	5.5952	2.8455	2.4839	4.3047		4.2891
H12	3.8685	3.4044	3.4044	2.1530	2.1530	1.0793	2.8474	2.8474	4.9498	4.2891	4.2891

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	118.813	C1	C2	H10	121.165
C1	C3	C5	118.813	C1	C3	H11	121.165
C2	C1	C3	120.876	C2	C1	H9	119.562
C2	C4	C6	121.647	C2	C4	Cl7	119.476
C3	C1	H9	119.562	C3	C5	C6	121.647
C3	C5	Cl8	119.476	C4	C2	H10	120.023
C4	C6	C5	118.204	C4	C6	H12	120.898
C5	C3	H11	120.023	C5	C6	H12	120.898
C6	C4	Cl7	118.877	C6	C5	Cl8	118.877

All results from a given calculation for C₆H₄Cl₂ (1,3-dichlorobenzene)

using model chemistry: QCISD/aug-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 (1,3-dichlorobenzene)

using model chemistry: QCISD/aug-cc-pVTZ

States and conformations

All results from a given calculation for C₆H₄Cl₂ (1,3-dichlorobenzene)