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	hartrees
Energy at 0K	-232.605421
Energy at 298.15K
HF Energy	-231.787027
Nuclear repulsion energy	189.916232

Atom	x (Å)	y (Å)	z (Å)
H1	0.000	2.232	1.626
H2	0.880	3.484	0.733
H3	-0.880	3.484	0.733
H4	0.000	-2.232	1.626
H5	0.880	-3.484	0.733
H6	-0.880	-3.484	0.733
C7	0.000	2.838	0.721
C8	0.000	-2.838	0.721
H9	0.000	2.479	-1.467
H10	0.000	-2.479	-1.467
C11	0.000	-0.640	-0.486
C12	0.000	0.640	-0.486
C13	0.000	1.969	-0.506
C14	0.000	-1.969	-0.506

	H1	H2	H3	H4	H5	H6	C7	C8	H9	H10	C11	C12	C13	C14
H1		1.7717	1.7717	4.4631	5.8512	5.8512	1.0887	5.1492	3.1022	5.6347	3.5644	2.6446	2.1475	4.7101
H2	1.7717		1.7603	5.8512	6.9677	7.1866	1.0919	6.3825	2.5740	6.4163	4.3894	3.2173	2.1461	5.6605
H3	1.7717	1.7603		5.8512	7.1866	6.9677	1.0919	6.3825	2.5740	6.4163	4.3894	3.2173	2.1461	5.6605
H4	4.4631	5.8512	5.8512		1.7717	1.7717	5.1492	1.0887	5.6347	3.1022	2.6446	3.5644	4.7101	2.1475
H5	5.8512	6.9677	7.1866	1.7717		1.7603	6.3825	1.0919	6.4163	2.5740	3.2173	4.3894	5.6605	2.1461
H6	5.8512	7.1866	6.9677	1.7717	1.7603		6.3825	1.0919	6.4163	2.5740	3.2173	4.3894	5.6605	2.1461
C7	1.0887	1.0919	1.0919	5.1492	6.3825	6.3825		5.6754	2.2173	5.7491	3.6812	2.5078	1.5035	4.9606
C8	5.1492	6.3825	6.3825	1.0887	1.0919	1.0919	5.6754		5.7491	2.2173	2.5078	3.6812	4.9606	1.5035
H9	3.1022	2.5740	2.5740	5.6347	6.4163	6.4163	2.2173	5.7491		4.9576	3.2691	2.0840	1.0880	4.5502
H10	5.6347	6.4163	6.4163	3.1022	2.5740	2.5740	5.7491	2.2173	4.9576		2.0840	3.2691	4.5502	1.0880
C11	3.5644	4.3894	4.3894	2.6446	3.2173	3.2173	3.6812	2.5078	3.2691	2.0840		1.2795	2.6086	1.3291
C12	2.6446	3.2173	3.2173	3.5644	4.3894	4.3894	2.5078	3.6812	2.0840	3.2691	1.2795		1.3291	2.6086
C13	2.1475	2.1461	2.1461	4.7101	5.6605	5.6605	1.5035	4.9606	1.0880	4.5502	2.6086	1.3291		3.9375
C14	4.7101	5.6605	5.6605	2.1475	2.1461	2.1461	4.9606	1.5035	4.5502	1.0880	1.3291	2.6086	3.9375

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C7	H2	108.679	H1	C7	H3	108.679
H1	C7	C13	110.863	H2	C7	H3	107.423
H2	C7	C13	110.550	H3	C7	C13	110.550
H4	C8	H5	108.679	H4	C8	H6	108.679
H4	C8	C14	110.863	H5	C8	H6	107.423
H5	C8	C14	110.550	H6	C8	C14	110.550
C7	C13	H9	116.740	C7	C13	C12	124.468
C8	C14	H10	116.740	C8	C14	C11	124.468
H9	C13	C12	118.793	H10	C14	C11	118.793
C11	C12	C13	179.164	C12	C11	C14	179.164

All results from a given calculation for C₆H₈ ((Z)-hexa-2,3,4-triene)

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 ((Z)-hexa-2,3,4-triene)

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

States and conformations

All results from a given calculation for C₆H₈ ((Z)-hexa-2,3,4-triene)