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	hartrees
Energy at 0K	-232.638459
Energy at 298.15K
HF Energy	-231.781273
Nuclear repulsion energy	190.332392

Atom	x (Å)	y (Å)	z (Å)
H1	0.000	2.215	1.626
H2	0.879	3.470	0.743
H3	-0.879	3.470	0.743
H4	0.000	-2.215	1.626
H5	0.879	-3.470	0.743
H6	-0.879	-3.470	0.743
C7	0.000	2.825	0.726
C8	0.000	-2.825	0.726
H9	0.000	2.475	-1.462
H10	0.000	-2.475	-1.462
C11	0.000	-0.639	-0.494
C12	0.000	0.639	-0.494
C13	0.000	1.961	-0.507
C14	0.000	-1.961	-0.507

	H1	H2	H3	H4	H5	H6	C7	C8	H9	H10	C11	C12	C13	C14
H1		1.7684	1.7684	4.4301	5.8202	5.8202	1.0870	5.1194	3.0994	5.6160	3.5554	2.6421	2.1480	4.6897
H2	1.7684		1.7574	5.8202	6.9405	7.1596	1.0905	6.3559	2.5741	6.4021	4.3804	3.2125	2.1473	5.6426
H3	1.7684	1.7574		5.8202	7.1596	6.9405	1.0905	6.3559	2.5741	6.4021	4.3804	3.2125	2.1473	5.6426
H4	4.4301	5.8202	5.8202		1.7684	1.7684	5.1194	1.0870	5.6160	3.0994	2.6421	3.5554	4.6897	2.1480
H5	5.8202	6.9405	7.1596	1.7684		1.7574	6.3559	1.0905	6.4021	2.5741	3.2125	4.3804	5.6426	2.1473
H6	5.8202	7.1596	6.9405	1.7684	1.7574		6.3559	1.0905	6.4021	2.5741	3.2125	4.3804	5.6426	2.1473
C7	1.0870	1.0905	1.0905	5.1194	6.3559	6.3559		5.6492	2.2161	5.7341	3.6722	2.5034	1.5051	4.9424
C8	5.1194	6.3559	6.3559	1.0870	1.0905	1.0905	5.6492		5.7341	2.2161	2.5034	3.6722	4.9424	1.5051
H9	3.0994	2.5741	2.5741	5.6160	6.4021	6.4021	2.2161	5.7341		4.9508	3.2612	2.0761	1.0849	4.5386
H10	5.6160	6.4021	6.4021	3.0994	2.5741	2.5741	5.7341	2.2161	4.9508		2.0761	3.2612	4.5386	1.0849
C11	3.5554	4.3804	4.3804	2.6421	3.2125	3.2125	3.6722	2.5034	3.2612	2.0761		1.2777	2.6003	1.3227
C12	2.6421	3.2125	3.2125	3.5554	4.3804	4.3804	2.5034	3.6722	2.0761	3.2612	1.2777		1.3227	2.6003
C13	2.1480	2.1473	2.1473	4.6897	5.6426	5.6426	1.5051	4.9424	1.0849	4.5386	2.6003	1.3227		3.9230
C14	4.6897	5.6426	5.6426	2.1480	2.1473	2.1473	4.9424	1.5051	4.5386	1.0849	1.3227	2.6003	3.9230

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C7	H2	108.607	H1	C7	H3	108.607
H1	C7	C13	110.897	H2	C7	H3	107.365
H2	C7	C13	110.630	H3	C7	C13	110.630
H4	C8	H5	108.607	H4	C8	H6	108.607
H4	C8	C14	110.897	H5	C8	H6	107.365
H5	C8	C14	110.630	H6	C8	C14	110.630
C7	C13	H9	116.731	C7	C13	C12	124.451
C8	C14	H10	116.731	C8	C14	C11	124.451
H9	C13	C12	118.817	H10	C14	C11	118.817
C11	C12	C13	179.458	C12	C11	C14	179.458

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

using model chemistry: MP3/6-31+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: MP3/6-31+G**

States and conformations

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