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	hartrees
Energy at 0K	-233.888498
Energy at 298.15K
HF Energy	-233.000219
Nuclear repulsion energy	216.642016

Atom	x (Å)	y (Å)	z (Å)
H1	-2.055	1.286	0.000
C2	-1.231	0.579	0.000
H3	0.053	2.204	0.000
C4	0.000	1.119	0.000
H5	1.355	-0.615	0.000
C6	1.313	0.464	0.000
H7	3.421	0.670	0.000
H8	2.468	2.243	0.000
C9	2.459	1.161	0.000
H10	-2.371	-0.967	0.868
H11	-2.371	-0.967	-0.868
C12	-1.716	-0.849	0.000
H13	-1.205	-2.940	0.000
H14	-0.055	-1.943	-0.883
H15	-0.055	-1.943	0.883
C16	-0.690	-1.979	0.000

	H1	C2	H3	C4	H5	C6	H7	H8	C9	H10	H11	C12	H13	H14	H15	C16
H1		1.0858	2.2993	2.0619	3.9039	3.4674	5.5112	4.6230	4.5162	2.4352	2.4352	2.1621	4.3107	3.8999	3.8999	3.5395
C2	1.0858		2.0709	1.3444	2.8481	2.5472	4.6536	4.0559	3.7360	2.1077	2.1077	1.5082	3.5189	2.9197	2.9197	2.6152
H3	2.2993	2.0709		1.0857	3.1042	2.1479	3.7008	2.4149	2.6225	4.0842	4.0842	3.5282	5.2948	4.2409	4.2409	4.2486
C4	2.0619	1.3444	1.0857		2.2003	1.4677	3.4508	2.7115	2.4597	3.2750	3.2750	2.6111	4.2338	3.1875	3.1875	3.1746
H5	3.9039	2.8481	3.1042	2.2003		1.0797	2.4337	3.0664	2.0908	3.8413	3.8413	3.0794	3.4576	2.1285	2.1285	2.4584
C6	3.4674	2.5472	2.1479	1.4677	1.0797		2.1181	2.1202	1.3409	4.0465	4.0465	3.3017	4.2340	2.9062	2.9062	3.1601
H7	5.5112	4.6536	3.7008	3.4508	2.4337	2.1181		1.8389	1.0798	6.0813	6.0813	5.3572	5.8678	4.4376	4.4376	4.8915
H8	4.6230	4.0559	2.4149	2.7115	3.0664	2.1202	1.8389		1.0821	5.8707	5.8707	5.2020	6.3515	4.9661	4.9661	5.2724
C9	4.5162	3.7360	2.6225	2.4597	2.0908	1.3409	1.0798	1.0821		5.3486	5.3486	4.6336	5.4986	4.0905	4.0905	4.4473
H10	2.4352	2.1077	4.0842	3.2750	3.8413	4.0465	6.0813	5.8707	5.3486		1.7367	1.0939	2.4506	3.0631	2.5132	2.1455
H11	2.4352	2.1077	4.0842	3.2750	3.8413	4.0465	6.0813	5.8707	5.3486	1.7367		1.0939	2.4506	2.5132	3.0631	2.1455
C12	2.1621	1.5082	3.5282	2.6111	3.0794	3.3017	5.3572	5.2020	4.6336	1.0939	1.0939		2.1522	2.1761	2.1761	1.5263
H13	4.3107	3.5189	5.2948	4.2338	3.4576	4.2340	5.8678	6.3515	5.4986	2.4506	2.4506	2.1522		1.7592	1.7592	1.0893
H14	3.8999	2.9197	4.2409	3.1875	2.1285	2.9062	4.4376	4.9661	4.0905	3.0631	2.5132	2.1761	1.7592		1.7659	1.0884
H15	3.8999	2.9197	4.2409	3.1875	2.1285	2.9062	4.4376	4.9661	4.0905	2.5132	3.0631	2.1761	1.7592	1.7659		1.0884
C16	3.5395	2.6152	4.2486	3.1746	2.4584	3.1601	4.8915	5.2724	4.4473	2.1455	2.1455	1.5263	1.0893	1.0884	1.0884

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C2	C4	115.677	H1	C2	C12	111.893
C2	C4	H3	116.499	C2	C4	C6	129.809
C2	C12	H10	107.118	C2	C12	H11	107.118
C2	C12	C16	119.039	H3	C4	C6	113.692
C4	C2	C12	132.430	C4	C6	H5	118.692
C4	C6	C9	122.212	H5	C6	C9	119.096
C6	C9	H7	121.714	C6	C9	H8	121.736
H7	C9	H8	116.550	H10	C12	H11	105.087
H10	C12	C16	108.809	H11	C12	C16	108.809
C12	C16	H13	109.604	C12	C16	H14	111.562
C12	C16	H15	111.562	H13	C16	H14	107.770
H13	C16	H15	107.770	H14	C16	H15	108.426

All results from a given calculation for C₆H₁₀ (1,3-Hexadiene, (Z)-)

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 C6H10 (1,3-Hexadiene, (Z)-)

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

States and conformations

All results from a given calculation for C₆H₁₀ (1,3-Hexadiene, (Z)-)