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	hartrees
Energy at 0K	-233.901024
Energy at 298.15K
HF Energy	-233.014194
Nuclear repulsion energy	208.251053

Atom	x (Å)	y (Å)	z (Å)
C1	-0.328	-3.173	0.000
C2	0.328	3.173	0.000
C3	0.328	0.654	0.000
C4	-0.328	-0.654	0.000
C5	-0.328	1.823	0.000
C6	0.328	-1.823	0.000
H7	-1.412	-3.080	0.000
H8	1.412	3.080	0.000
H9	-0.035	-3.751	0.878
H10	-0.035	-3.751	-0.878
H11	0.035	3.751	0.878
H12	0.035	3.751	-0.878
H13	1.415	0.650	0.000
H14	-1.415	-0.650	0.000
H15	-1.414	1.818	0.000
H16	1.414	-1.818	0.000

	C1	C2	C3	C4	C5	C6	H7	H8	H9	H10	H11	H12	H13	H14	H15	H16
C1		6.3788	3.8826	2.5183	4.9959	1.5002	1.0888	6.4901	1.0908	1.0908	6.9879	6.9879	4.2004	2.7472	5.1077	2.2063
C2	6.3788		2.5183	3.8826	1.5002	4.9959	6.4901	1.0888	6.9879	6.9879	1.0908	1.0908	2.7472	4.2004	2.2063	5.1077
C3	3.8826	2.5183		1.4641	1.3409	2.4776	4.1200	2.6569	4.5060	4.5060	3.2316	3.2316	1.0862	2.1766	2.0955	2.7004
C4	2.5183	3.8826	1.4641		2.4776	1.3409	2.6569	4.1200	3.2316	3.2316	4.5060	4.5060	2.1766	1.0862	2.7004	2.0955
C5	4.9959	1.5002	1.3409	2.4776		3.7053	5.0216	2.1469	5.6501	5.6501	2.1486	2.1486	2.1014	2.7009	1.0858	4.0370
C6	1.5002	4.9959	2.4776	1.3409	3.7053		2.1469	5.0216	2.1486	2.1486	5.6501	5.6501	2.7009	2.1014	4.0370	1.0858
H7	1.0888	6.4901	4.1200	2.6569	5.0216	2.1469		6.7767	1.7656	1.7656	7.0370	7.0370	4.6798	2.4304	4.8981	3.0954
H8	6.4901	1.0888	2.6569	4.1200	2.1469	5.0216	6.7767		7.0370	7.0370	1.7656	1.7656	2.4304	4.6798	3.0954	4.8981
H9	1.0908	6.9879	4.5060	3.2316	5.6501	2.1486	1.7656	7.0370		1.7552	7.5014	7.7040	4.7150	3.5057	5.8038	2.5698
H10	1.0908	6.9879	4.5060	3.2316	5.6501	2.1486	1.7656	7.0370	1.7552		7.7040	7.5014	4.7150	3.5057	5.8038	2.5698
H11	6.9879	1.0908	3.2316	4.5060	2.1486	5.6501	7.0370	1.7656	7.5014	7.7040		1.7552	3.5057	4.7150	2.5698	5.8038
H12	6.9879	1.0908	3.2316	4.5060	2.1486	5.6501	7.0370	1.7656	7.7040	7.5014	1.7552		3.5057	4.7150	2.5698	5.8038
H13	4.2004	2.7472	1.0862	2.1766	2.1014	2.7009	4.6798	2.4304	4.7150	4.7150	3.5057	3.5057		3.1131	3.0606	2.4678
H14	2.7472	4.2004	2.1766	1.0862	2.7009	2.1014	2.4304	4.6798	3.5057	3.5057	4.7150	4.7150	3.1131		2.4678	3.0606
H15	5.1077	2.2063	2.0955	2.7004	1.0858	4.0370	4.8981	3.0954	5.8038	5.8038	2.5698	2.5698	3.0606	2.4678		4.6069
H16	2.2063	5.1077	2.7004	2.0955	4.0370	1.0858	3.0954	4.8981	2.5698	2.5698	5.8038	5.8038	2.4678	3.0606	4.6069

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C6	C4	124.745	C1	C6	H16	116.197
C2	C5	C3	124.745	C2	C5	H15	116.197
C3	C4	C6	124.022	C3	C4	H14	116.402
C3	C5	H15	119.057	C4	C3	C5	124.022
C4	C3	H13	116.402	C4	C6	H16	119.057
C5	C2	H8	111.048	C5	C2	H11	111.052
C5	C2	H12	111.052	C5	C3	H13	119.576
C6	C1	H7	111.048	C6	C1	H9	111.052
C6	C1	H10	111.052	C6	C4	H14	119.576
H7	C1	H9	108.204	H7	C1	H10	108.204
H8	C2	H11	108.204	H8	C2	H12	108.204
H9	C1	H10	107.128	H11	C2	H12	107.128

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

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,E)-)

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

States and conformations

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