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	hartrees
Energy at 0K	-233.887414
Energy at 298.15K
HF Energy	-232.999264
Nuclear repulsion energy	219.112987

Atom	x (Å)	y (Å)	z (Å)
C1	-2.281	-0.148	-0.768
H2	-3.229	0.368	-0.616
H3	-1.694	0.422	-1.484
H4	-2.510	-1.116	-1.216
C5	-1.566	-0.338	0.541
H6	-2.102	-0.939	1.268
C7	-0.369	0.146	0.895
H8	0.009	-0.102	1.881
C9	0.546	1.007	0.069
H10	0.045	1.357	-0.836
H11	0.789	1.909	0.640
C12	1.839	0.330	-0.321
H13	2.588	0.985	-0.755
C14	2.107	-0.971	-0.186
H15	3.057	-1.382	-0.497
H16	1.390	-1.662	0.233

	C1	H2	H3	H4	C5	H6	C7	H8	C9	H10	H11	C12	H13	C14	H15	H16
C1		1.0907	1.0870	1.0904	1.5028	2.1910	2.5502	3.5012	3.1664	2.7716	3.9541	4.1712	4.9984	4.5019	5.4845	4.0947
H2	1.0907		1.7636	1.7550	2.1451	2.5552	3.2419	4.1158	3.8895	3.4274	4.4825	5.0766	5.8509	5.5184	6.5258	5.1166
H3	1.0870	1.7636		1.7610	2.1660	3.0966	2.7365	3.8073	2.7879	2.0786	3.5896	3.7207	4.3799	4.2516	5.1769	4.0995
H4	1.0904	1.7550	1.7610		2.1408	2.5238	3.2601	4.1185	3.9365	3.5761	4.8448	4.6692	5.5323	4.7326	5.6188	4.1961
C5	1.5028	2.1451	2.1660	2.1408		1.0849	1.3384	2.0813	2.5481	2.7138	3.2560	3.5755	4.5478	3.7979	4.8516	3.2540
H6	2.1910	2.5552	3.0966	2.5238	1.0849		2.0776	2.3515	3.4979	3.7825	4.1058	4.4344	5.4573	4.4532	5.4699	3.7129
C7	2.5502	3.2419	2.7365	3.2601	1.3384	2.0776		1.0848	1.5041	2.1529	2.1248	2.5277	3.4885	2.9237	4.0009	2.6078
H8	3.5012	4.1158	3.8073	4.1185	2.0813	2.3515	1.0848		2.1915	3.0842	2.4886	2.8958	3.8445	3.0708	4.0719	2.6560
C9	3.1664	3.8895	2.7879	3.9365	2.5481	3.4979	1.5041	2.1915		1.0917	1.0943	1.5109	2.2019	2.5328	3.5117	2.8046
H10	2.7716	3.4274	2.0786	3.5761	2.7138	3.7825	2.1529	3.0842	1.0917		1.7420	2.1301	2.5709	3.1769	4.0849	3.4740
H11	3.9541	4.4825	3.5896	4.8448	3.2560	4.1058	2.1248	2.4886	1.0943	1.7420		2.1259	2.4571	3.2730	4.1552	3.6440
C12	4.1712	5.0766	3.7207	4.6692	3.5755	4.4344	2.5277	2.8958	1.5109	2.1301	2.1259		1.0850	1.3349	2.1082	2.1161
H13	4.9984	5.8509	4.3799	5.5323	4.5478	5.4573	3.4885	3.8445	2.2019	2.5709	2.4571	1.0850		2.0920	2.4262	3.0686
C14	4.5019	5.5184	4.2516	4.7326	3.7979	4.4532	2.9237	3.0708	2.5328	3.1769	3.2730	1.3349	2.0920		1.0803	1.0811
H15	5.4845	6.5258	5.1769	5.6188	4.8516	5.4699	4.0009	4.0719	3.5117	4.0849	4.1552	2.1082	2.4262	1.0803		1.8411
H16	4.0947	5.1166	4.0995	4.1961	3.2540	3.7129	2.6078	2.6560	2.8046	3.4740	3.6440	2.1161	3.0686	1.0811	1.8411

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C5	H6	114.754	C1	C5	C7	127.586
H2	C1	H3	108.155	H2	C1	H4	107.149
H2	C1	C5	110.603	H3	C1	H4	107.943
H3	C1	C5	112.525	H4	C1	C5	110.273
C5	C7	H8	118.006	C5	C7	C9	127.293
H6	C5	C7	117.659	C7	C9	H10	111.072
C7	C9	H11	108.696	C7	C9	C12	113.937
H8	C7	C9	114.700	C9	C12	H13	115.056
C9	C12	C14	125.641	H10	C9	H11	105.667
H10	C9	C12	108.790	H11	C9	C12	108.318
C12	C14	H15	121.238	C12	C14	H16	121.948
H13	C12	C14	119.300	H15	C14	H16	116.814

All results from a given calculation for C₆H₁₀ (1,4-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 (1,4-Hexadiene, (Z)-)

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

States and conformations

All results from a given calculation for C₆H₁₀ (1,4-Hexadiene, (Z)-)