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	hartrees
Energy at 0K	-232.667720
Energy at 298.15K
HF Energy	-231.851839
Nuclear repulsion energy	217.823375

Atom	x (Å)	y (Å)	z (Å)
C1	1.506	0.000	0.000
C2	-1.506	0.000	0.000
C3	-0.672	1.251	0.000
C4	0.672	1.251	0.000
C5	-0.672	-1.251	0.000
C6	0.672	-1.251	0.000
H7	1.208	-2.195	0.000
H8	-1.208	-2.195	0.000
H9	1.208	2.195	0.000
H10	-1.208	2.195	0.000
H11	2.171	0.000	0.871
H12	-2.171	0.000	0.871
H13	2.171	0.000	-0.871
H14	-2.171	0.000	-0.871

	C1	C2	C3	C4	C5	C6	H7	H8	H9	H10	H11	H12	H13	H14
C1		3.0119	2.5117	1.5037	2.5117	1.5037	2.2155	3.4904	2.2155	3.4904	1.0960	3.7786	1.0960	3.7786
C2	3.0119		1.5037	2.5117	1.5037	2.5117	3.4904	2.2155	3.4904	2.2155	3.7786	1.0960	3.7786	1.0960
C3	2.5117	1.5037		1.3438	2.5023	2.8403	3.9256	3.4878	2.1034	1.0856	3.2258	2.1381	3.2258	2.1381
C4	1.5037	2.5117	1.3438		2.8403	2.5023	3.4878	3.9256	1.0856	2.1034	2.1381	3.2258	2.1381	3.2258
C5	2.5117	1.5037	2.5023	2.8403		1.3438	2.1034	1.0856	3.9256	3.4878	3.2258	2.1381	3.2258	2.1381
C6	1.5037	2.5117	2.8403	2.5023	1.3438		1.0856	2.1034	3.4878	3.9256	2.1381	3.2258	2.1381	3.2258
H7	2.2155	3.4904	3.9256	3.4878	2.1034	1.0856		2.4153	4.3906	5.0111	2.5507	4.1222	2.5507	4.1222
H8	3.4904	2.2155	3.4878	3.9256	1.0856	2.1034	2.4153		5.0111	4.3906	4.1222	2.5507	4.1222	2.5507
H9	2.2155	3.4904	2.1034	1.0856	3.9256	3.4878	4.3906	5.0111		2.4153	2.5507	4.1222	2.5507	4.1222
H10	3.4904	2.2155	1.0856	2.1034	3.4878	3.9256	5.0111	4.3906	2.4153		4.1222	2.5507	4.1222	2.5507
H11	1.0960	3.7786	3.2258	2.1381	3.2258	2.1381	2.5507	4.1222	2.5507	4.1222		4.3417	1.7426	4.6783
H12	3.7786	1.0960	2.1381	3.2258	2.1381	3.2258	4.1222	2.5507	4.1222	2.5507	4.3417		4.6783	1.7426
H13	1.0960	3.7786	3.2258	2.1381	3.2258	2.1381	2.5507	4.1222	2.5507	4.1222	1.7426	4.6783		4.3417
H14	3.7786	1.0960	2.1381	3.2258	2.1381	3.2258	4.1222	2.5507	4.1222	2.5507	4.6783	1.7426	4.3417

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C4	C3	123.689	C1	C4	H9	116.740
C1	C6	C5	123.689	C1	C6	H7	116.740
C2	C3	C4	123.689	C2	C3	H10	116.740
C2	C5	C6	123.689	C2	C5	H8	116.740
C3	C2	C5	112.622	C3	C2	H12	109.663
C3	C2	H14	109.663	C3	C4	H9	119.571
C4	C1	C6	112.622	C4	C1	H11	109.663
C4	C1	H13	109.663	C4	C3	H10	119.571
C5	C2	H12	109.663	C5	C2	H14	109.663
C5	C6	H7	119.571	C6	C1	H11	109.663
C6	C1	H13	109.663	C6	C5	H8	119.571
H11	C1	H13	105.307	H12	C2	H14	105.307

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

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

States and conformations

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