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	hartrees
Energy at 0K	-234.122534
Energy at 298.15K
HF Energy	-233.067962
Nuclear repulsion energy	212.708029

Atom	x (Å)	y (Å)	z (Å)
C1	-0.423	0.641	-0.301
C2	0.423	-0.641	-0.301
C3	0.423	1.879	-0.342
C4	-0.423	-1.879	-0.342
C5	0.444	2.815	0.606
C6	-0.444	-2.815	0.606
H7	-1.087	0.623	-1.171
H8	-1.060	0.657	0.585
H9	1.087	-0.623	-1.171
H10	1.060	-0.657	0.585
H11	1.068	1.992	-1.208
H12	-1.068	-1.992	-1.208
H13	1.083	3.684	0.529
H14	-0.181	2.737	1.487
H15	-1.083	-3.684	0.529
H16	0.181	-2.737	1.487

	C1	C2	C3	C4	C5	C6	H7	H8	H9	H10	H11	H12	H13	H14	H15	H16
C1		1.5358	1.5008	2.5205	2.5108	3.5732	1.0945	1.0917	2.1530	2.1612	2.2072	2.8584	3.4957	2.7656	4.4532	3.8691
C2	1.5358		2.5205	1.5008	3.5732	2.5108	2.1530	2.1612	1.0945	1.0917	2.8584	2.2072	4.4532	3.8691	3.4957	2.7656
C3	1.5008	2.5205		3.8530	1.3321	4.8674	2.1323	2.1341	2.7190	2.7747	1.0859	4.2382	2.1096	2.1079	5.8294	4.9712
C4	2.5205	1.5008	3.8530		4.8674	1.3321	2.7190	2.7747	2.1323	2.1341	4.2382	1.0859	5.8294	4.9712	2.1096	2.1079
C5	2.5108	3.5732	1.3321	4.8674		5.7003	3.2107	2.6311	3.9238	3.5266	2.0877	5.3562	1.0811	1.0830	6.6771	5.6278
C6	3.5732	2.5108	4.8674	1.3321	5.7003		3.9238	3.5266	3.2107	2.6311	5.3562	2.0877	6.6771	5.6278	1.0811	1.0830
H7	1.0945	2.1530	2.1323	2.7190	3.2107	3.9238		1.7571	2.5060	3.0554	2.5529	2.6157	4.1191	3.5145	4.6311	4.4681
H8	1.0917	2.1612	2.1341	2.7747	2.6311	3.5266	1.7571		3.0554	2.4948	3.0867	3.1992	3.7095	2.4313	4.3419	3.7247
H9	2.1530	1.0945	2.7190	2.1323	3.9238	3.2107	2.5060	3.0554		1.7571	2.6157	2.5529	4.6311	4.4681	4.1191	3.5145
H10	2.1612	1.0917	2.7747	2.1341	3.5266	2.6311	3.0554	2.4948	1.7571		3.1992	3.0867	4.3419	3.7247	3.7095	2.4313
H11	2.2072	2.8584	1.0859	4.2382	2.0877	5.3562	2.5529	3.0867	2.6157	3.1992		4.5203	2.4252	3.0623	6.3138	5.5148
H12	2.8584	2.2072	4.2382	1.0859	5.3562	2.0877	2.6157	3.1992	2.5529	3.0867	4.5203		6.3138	5.5148	2.4252	3.0623
H13	3.4957	4.4532	2.1096	5.8294	1.0811	6.6771	4.1191	3.7095	4.6311	4.3419	2.4252	6.3138		1.8473	7.6804	6.5547
H14	2.7656	3.8691	2.1079	4.9712	1.0830	5.6278	3.5145	2.4313	4.4681	3.7247	3.0623	5.5148	1.8473		6.5547	5.4859
H15	4.4532	3.4957	5.8294	2.1096	6.6771	1.0811	4.6311	4.3419	4.1191	3.7095	6.3138	2.4252	7.6804	6.5547		1.8473
H16	3.8691	2.7656	4.9712	2.1079	5.6278	1.0830	4.4681	3.7247	3.5145	2.4313	5.5148	3.0623	6.5547	5.4859	1.8473

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	112.203	C1	C2	H9	108.719
C1	C2	H10	109.516	C1	C3	C5	124.720
C1	C3	H11	116.222	C2	C1	C3	112.203
C2	C1	H7	108.719	C2	C1	H8	109.516
C2	C4	C6	124.720	C2	C4	H12	116.222
C3	C1	H7	109.491	C3	C1	H8	109.801
C3	C5	H13	121.550	C3	C5	H14	121.232
C4	C2	H9	109.491	C4	C2	H10	109.801
C4	C6	H15	121.550	C4	C6	H16	121.232
C5	C3	H11	119.051	C6	C4	H12	119.051
H7	C1	H8	106.965	H9	C2	H10	106.965
H13	C5	H14	117.218	H15	C6	H16	117.218

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

using model chemistry: CCSD/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: CCSD/cc-pVTZ

States and conformations

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