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	hartrees
Energy at 0K	-232.698798
Energy at 298.15K
HF Energy	-231.852039
Nuclear repulsion energy	218.066411

Atom	x (Å)	y (Å)	z (Å)
C1	1.502	0.000	0.000
C2	-1.502	0.000	0.000
C3	-0.671	1.249	0.000
C4	0.671	1.249	0.000
C5	-0.671	-1.249	0.000
C6	0.671	-1.249	0.000
H7	1.199	-2.196	0.000
H8	-1.199	-2.196	0.000
H9	1.199	2.196	0.000
H10	-1.199	2.196	0.000
H11	2.167	0.000	0.870
H12	-2.167	0.000	0.870
H13	2.167	0.000	-0.870
H14	-2.167	0.000	-0.870

	C1	C2	C3	C4	C5	C6	H7	H8	H9	H10	H11	H12	H13	H14
C1		3.0039	2.5063	1.5003	2.5063	1.5003	2.2164	3.4810	2.2164	3.4810	1.0951	3.7710	1.0951	3.7710
C2	3.0039		1.5003	2.5063	1.5003	2.5063	3.4810	2.2164	3.4810	2.2164	3.7710	1.0951	3.7710	1.0951
C3	2.5063	1.5003		1.3419	2.4983	2.8359	3.9197	3.4851	2.0961	1.0840	3.2207	2.1345	3.2207	2.1345
C4	1.5003	2.5063	1.3419		2.8359	2.4983	3.4851	3.9197	1.0840	2.0961	2.1345	3.2207	2.1345	3.2207
C5	2.5063	1.5003	2.4983	2.8359		1.3419	2.0961	1.0840	3.9197	3.4851	3.2207	2.1345	3.2207	2.1345
C6	1.5003	2.5063	2.8359	2.4983	1.3419		1.0840	2.0961	3.4851	3.9197	2.1345	3.2207	2.1345	3.2207
H7	2.2164	3.4810	3.9197	3.4851	2.0961	1.0840		2.3985	4.3913	5.0036	2.5524	4.1123	2.5524	4.1123
H8	3.4810	2.2164	3.4851	3.9197	1.0840	2.0961	2.3985		5.0036	4.3913	4.1123	2.5524	4.1123	2.5524
H9	2.2164	3.4810	2.0961	1.0840	3.9197	3.4851	4.3913	5.0036		2.3985	2.5524	4.1123	2.5524	4.1123
H10	3.4810	2.2164	1.0840	2.0961	3.4851	3.9197	5.0036	4.3913	2.3985		4.1123	2.5524	4.1123	2.5524
H11	1.0951	3.7710	3.2207	2.1345	3.2207	2.1345	2.5524	4.1123	2.5524	4.1123		4.3347	1.7396	4.6707
H12	3.7710	1.0951	2.1345	3.2207	2.1345	3.2207	4.1123	2.5524	4.1123	2.5524	4.3347		4.6707	1.7396
H13	1.0951	3.7710	3.2207	2.1345	3.2207	2.1345	2.5524	4.1123	2.5524	4.1123	1.7396	4.6707		4.3347
H14	3.7710	1.0951	2.1345	3.2207	2.1345	3.2207	4.1123	2.5524	4.1123	2.5524	4.6707	1.7396	4.3347

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C4	C3	123.634	C1	C4	H9	117.199
C1	C6	C5	123.634	C1	C6	H7	117.199
C2	C3	C4	123.634	C2	C3	H10	117.199
C2	C5	C6	123.634	C2	C5	H8	117.199
C3	C2	C5	112.733	C3	C2	H12	109.666
C3	C2	H14	109.666	C3	C4	H9	119.167
C4	C1	C6	112.733	C4	C1	H11	109.666
C4	C1	H13	109.666	C4	C3	H10	119.167
C5	C2	H12	109.666	C5	C2	H14	109.666
C5	C6	H7	119.167	C6	C1	H11	109.666
C6	C1	H13	109.666	C6	C5	H8	119.167
H11	C1	H13	105.169	H12	C2	H14	105.169

All results from a given calculation for C₆H₈ (1,4-Cyclohexadiene)

using model chemistry: MP2=FULL/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 C6H8 (1,4-Cyclohexadiene)

using model chemistry: MP2=FULL/6-31+G**

States and conformations

All results from a given calculation for C₆H₈ (1,4-Cyclohexadiene)