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	hartrees
Energy at 0K	-234.119436
Energy at 298.15K
HF Energy	-233.068235
Nuclear repulsion energy	212.908274

Atom	x (Å)	y (Å)	z (Å)
C1	-0.423	0.641	-0.302
C2	0.423	-0.641	-0.302
C3	0.423	1.879	-0.343
C4	-0.423	-1.879	-0.343
C5	0.448	2.809	0.608
C6	-0.448	-2.809	0.608
H7	-1.086	0.623	-1.171
H8	-1.059	0.657	0.584
H9	1.086	-0.623	-1.171
H10	1.059	-0.657	0.584
H11	1.064	1.995	-1.210
H12	-1.064	-1.995	-1.210
H13	1.086	3.677	0.532
H14	-0.174	2.726	1.489
H15	-1.086	-3.677	0.532
H16	0.174	-2.726	1.489

	C1	C2	C3	C4	C5	C6	H7	H8	H9	H10	H11	H12	H13	H14	H15	H16
C1		1.5365	1.5003	2.5205	2.5074	3.5682	1.0928	1.0902	2.1520	2.1603	2.2064	2.8604	3.4913	2.7597	4.4476	3.8603
C2	1.5365		2.5205	1.5003	3.5682	2.5074	2.1520	2.1603	1.0928	1.0902	2.8604	2.2064	4.4476	3.8603	3.4913	2.7597
C3	1.5003	2.5205		3.8523	1.3301	4.8622	2.1310	2.1323	2.7177	2.7742	1.0843	4.2391	2.1064	2.1044	5.8235	4.9623
C4	2.5205	1.5003	3.8523		4.8622	1.3301	2.7177	2.7742	2.1310	2.1323	4.2391	1.0843	5.8235	4.9623	2.1064	2.1044
C5	2.5074	3.5682	1.3301	4.8622		5.6889	3.2087	2.6268	3.9178	3.5198	2.0850	5.3541	1.0797	1.0816	6.6653	5.6114
C6	3.5682	2.5074	4.8622	1.3301	5.6889		3.9178	3.5198	3.2087	2.6268	5.3541	2.0850	6.6653	5.6114	1.0797	1.0816
H7	1.0928	2.1520	2.1310	2.7177	3.2087	3.9178		1.7549	2.5044	3.0525	2.5506	2.6181	4.1161	3.5109	4.6250	4.4585
H8	1.0902	2.1603	2.1323	2.7742	2.6268	3.5198	1.7549		3.0525	2.4923	3.0839	3.2017	3.7038	2.4250	4.3349	3.7131
H9	2.1520	1.0928	2.7177	2.1310	3.9178	3.2087	2.5044	3.0525		1.7549	2.6181	2.5506	4.6250	4.4585	4.1161	3.5109
H10	2.1603	1.0902	2.7742	2.1323	3.5198	2.6268	3.0525	2.4923	1.7549		3.2017	3.0839	4.3349	3.7131	3.7038	2.4250
H11	2.2064	2.8604	1.0843	4.2391	2.0850	5.3541	2.5506	3.0839	2.6181	3.2017		4.5213	2.4219	3.0579	6.3106	5.5100
H12	2.8604	2.2064	4.2391	1.0843	5.3541	2.0850	2.6181	3.2017	2.5506	3.0839	4.5213		6.3106	5.5100	2.4219	3.0579
H13	3.4913	4.4476	2.1064	5.8235	1.0797	6.6653	4.1161	3.7038	4.6250	4.3349	2.4219	6.3106		1.8457	7.6679	6.5381
H14	2.7597	3.8603	2.1044	4.9623	1.0816	5.6114	3.5109	2.4250	4.4585	3.7131	3.0579	5.5100	1.8457		6.5381	5.4634
H15	4.4476	3.4913	5.8235	2.1064	6.6653	1.0797	4.6250	4.3349	4.1161	3.7038	6.3106	2.4219	7.6679	6.5381		1.8457
H16	3.8603	2.7597	4.9623	2.1044	5.6114	1.0816	4.4585	3.7131	3.5109	2.4250	5.5100	3.0579	6.5381	5.4634	1.8457

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	112.190	C1	C2	H9	108.690
C1	C2	H10	109.486	C1	C3	C5	124.612
C1	C3	H11	116.299	C2	C1	C3	112.190
C2	C1	H7	108.690	C2	C1	H8	109.486
C2	C4	C6	124.612	C2	C4	H12	116.299
C3	C1	H7	109.532	C3	C1	H8	109.788
C3	C5	H13	121.526	C3	C5	H14	121.177
C4	C2	H9	109.532	C4	C2	H10	109.788
C4	C6	H15	121.526	C4	C6	H16	121.177
C5	C3	H11	119.080	C6	C4	H12	119.080
H7	C1	H8	107.012	H9	C2	H10	107.012
H13	C5	H14	117.296	H15	C6	H16	117.296

All results from a given calculation for C₆H₁₀ (1,5-Hexadiene)

using model chemistry: MP3/cc-pVTZ

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 (1,5-Hexadiene)

using model chemistry: MP3/cc-pVTZ

States and conformations

All results from a given calculation for C₆H₁₀ (1,5-Hexadiene)