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	hartrees
Energy at 0K	-233.898722
Energy at 298.15K
HF Energy	-233.011492
Nuclear repulsion energy	211.242269

Atom	x (Å)	y (Å)	z (Å)
C1	0.260	2.969	0.000
H2	1.330	2.765	0.000
H3	0.028	3.574	0.878
H4	0.028	3.574	-0.878
C5	1.073	-2.480	0.000
H6	1.776	-1.651	0.000
H7	1.276	-3.095	-0.877
H8	1.276	-3.095	0.877
C9	-0.358	-2.023	0.000
H10	-1.093	-2.820	0.000
C11	-0.810	-0.758	0.000
H12	-1.883	-0.599	0.000
C13	0.000	0.463	0.000
H14	1.079	0.356	0.000
C15	-0.532	1.695	0.000
H16	-1.612	1.803	0.000

	C1	H2	H3	H4	C5	H6	H7	H8	C9	H10	C11	H12	C13	H14	C15	H16
C1		1.0888	1.0908	1.0908	5.5092	4.8622	6.2107	6.2107	5.0297	5.9450	3.8771	4.1622	2.5191	2.7378	1.5001	2.2056
H2	1.0888		1.7657	1.7657	5.2517	4.4389	5.9259	5.9259	5.0768	6.0882	4.1219	4.6521	2.6585	2.4219	2.1473	3.0953
H3	1.0908	1.7657		1.7550	6.2057	5.5789	7.0080	6.7847	5.6781	6.5505	4.4983	4.6729	3.2321	3.4966	2.1481	2.5684
H4	1.0908	1.7657	1.7550		6.2057	5.5789	6.7847	7.0080	5.6781	6.5505	4.4983	4.6729	3.2321	3.4966	2.1481	2.5684
C5	5.5092	5.2517	6.2057	6.2057		1.0870	1.0907	1.0907	1.5022	2.1919	2.5517	3.5038	3.1326	2.8365	4.4725	5.0550
H6	4.8622	4.4389	5.5789	5.5789	1.0870		1.7617	1.7617	2.1661	3.0975	2.7357	3.8073	2.7611	2.1250	4.0644	4.8383
H7	6.2107	5.9259	7.0080	6.7847	1.0907	1.7617		1.7549	2.1430	2.5415	3.2538	4.1213	3.8808	3.5667	5.1944	5.7537
H8	6.2107	5.9259	6.7847	7.0080	1.0907	1.7617	1.7549		2.1430	2.5415	3.2538	4.1213	3.8808	3.5667	5.1944	5.7537
C9	5.0297	5.0768	5.6781	5.6781	1.5022	2.1661	2.1430	2.1430		1.0842	1.3433	2.0863	2.5116	2.7795	3.7215	4.0259
H10	5.9450	6.0882	6.5505	6.5505	2.1919	3.0975	2.5415	2.5415	1.0842		2.0818	2.3577	3.4605	3.8480	4.5496	4.6522
C11	3.8771	4.1219	4.4983	4.4983	2.5517	2.7357	3.2538	3.2538	1.3433	2.0818		1.0850	1.4652	2.1931	2.4681	2.6833
H12	4.1622	4.6521	4.6729	4.6729	3.5038	3.8073	4.1213	4.1213	2.0863	2.3577	1.0850		2.1623	3.1126	2.6623	2.4172
C13	2.5191	2.6585	3.2321	3.2321	3.1326	2.7611	3.8808	3.8808	2.5116	3.4605	1.4652	2.1623		1.0842	1.3414	2.0962
H14	2.7378	2.4219	3.4966	3.4966	2.8365	2.1250	3.5667	3.5667	2.7795	3.8480	2.1931	3.1126	1.0842		2.0942	3.0553
C15	1.5001	2.1473	2.1481	2.1481	4.4725	4.0644	5.1944	5.1944	3.7215	4.5496	2.4681	2.6623	1.3414	2.0942		1.0859
H16	2.2056	3.0953	2.5684	2.5684	5.0550	4.8383	5.7537	5.7537	4.0259	4.6522	2.6833	2.4172	2.0962	3.0553	1.0859

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C15	C13	124.785	C1	C15	H16	116.141
H2	C1	H3	108.216	H2	C1	H4	108.216
H2	C1	C15	111.088	H3	C1	H4	107.116
H3	C1	C15	111.027	H4	C1	C15	111.027
C5	C9	H10	114.917	C5	C9	C11	127.379
H6	C5	H7	107.998	H6	C5	H8	107.998
H6	C5	C9	112.577	H7	C5	H8	107.121
H7	C5	C9	110.474	H8	C5	C9	110.474
C9	C11	H12	118.061	C9	C11	C13	126.784
H10	C9	C11	117.704	C11	C13	H14	117.910
C11	C13	C15	123.081	H12	C11	C13	115.155
C13	C15	H16	119.074	H14	C13	C15	119.009

All results from a given calculation for C₆H₁₀ (2,4-Hexadiene, (E,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 (2,4-Hexadiene, (E,Z)-)

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

States and conformations

All results from a given calculation for C₆H₁₀ (2,4-Hexadiene, (E,Z)-)