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	hartrees
Energy at 0K	-234.134375
Energy at 298.15K
HF Energy	-233.060243
Nuclear repulsion energy	212.213257

Atom	x (Å)	y (Å)	z (Å)
C1	-0.411	0.651	-0.323
C2	0.411	-0.651	-0.323
C3	0.467	1.872	-0.335
C4	-0.467	-1.872	-0.335
C5	0.467	2.810	0.619
C6	-0.467	-2.810	0.619
H7	-1.070	0.658	-1.201
H8	-1.052	0.669	0.564
H9	1.070	-0.658	-1.201
H10	1.052	-0.669	0.564
H11	1.151	1.967	-1.178
H12	-1.151	-1.967	-1.178
H13	1.129	3.667	0.575
H14	-0.199	2.744	1.474
H15	-1.129	-3.667	0.575
H16	0.199	-2.744	1.474

	C1	C2	C3	C4	C5	C6	H7	H8	H9	H10	H11	H12	H13	H14	H15	H16
C1		1.5395	1.5036	2.5234	2.5138	3.5874	1.0975	1.0951	2.1624	2.1612	2.2132	2.8513	3.5030	2.7672	4.4682	3.8898
C2	1.5395		2.5234	1.5036	3.5874	2.5138	2.1624	2.1612	1.0975	1.0951	2.8513	2.2132	4.4682	3.8898	3.5030	2.7672
C3	1.5036	2.5234		3.8583	1.3383	4.8683	2.1411	2.1362	2.7410	2.7581	1.0891	4.2497	2.1184	2.1162	5.8352	4.9652
C4	2.5234	1.5036	3.8583		4.8683	1.3383	2.7410	2.7581	2.1411	2.1362	4.2497	1.0891	5.8352	4.9652	2.1184	2.1162
C5	2.5138	3.5874	1.3383	4.8683		5.6968	3.2100	2.6256	3.9628	3.5283	2.0994	5.3536	1.0836	1.0856	6.6704	5.6259
C6	3.5874	2.5138	4.8683	1.3383	5.6968		3.9628	3.5283	3.2100	2.6256	5.3536	2.0994	6.6704	5.6259	1.0836	1.0856
H7	1.0975	2.1624	2.1411	2.7410	3.2100	3.9628		1.7650	2.5120	3.0626	2.5773	2.6262	4.1277	3.5024	4.6756	4.5102
H8	1.0951	2.1612	2.1362	2.7581	2.6256	3.5283	1.7650		3.0626	2.4941	3.0935	3.1608	3.7071	2.4213	4.3366	3.7477
H9	2.1624	1.0975	2.7410	2.1411	3.9628	3.2100	2.5120	3.0626		1.7650	2.6262	2.5773	4.6756	4.5102	4.1277	3.5024
H10	2.1612	1.0951	2.7581	2.1362	3.5283	2.6256	3.0626	2.4941	1.7650		3.1608	3.0935	4.3366	3.7477	3.7071	2.4213
H11	2.2132	2.8513	1.0891	4.2497	2.0994	5.3536	2.5773	3.0935	2.6262	3.1608		4.5570	2.4416	3.0755	6.3247	5.4892
H12	2.8513	2.2132	4.2497	1.0891	5.3536	2.0994	2.6262	3.1608	2.5773	3.0935	4.5570		6.3247	5.4892	2.4416	3.0755
H13	3.5030	4.4682	2.1184	5.8352	1.0836	6.6704	4.1277	3.7071	4.6756	4.3366	2.4416	6.3247		1.8501	7.6731	6.5402
H14	2.7672	3.8898	2.1162	4.9652	1.0856	5.6259	3.5024	2.4213	4.5102	3.7477	3.0755	5.4892	1.8501		6.5402	5.5028
H15	4.4682	3.5030	5.8352	2.1184	6.6704	1.0836	4.6756	4.3366	4.1277	3.7071	6.3247	2.4416	7.6731	6.5402		1.8501
H16	3.8898	2.7672	4.9652	2.1162	5.6259	1.0856	4.5102	3.7477	3.5024	2.4213	5.4892	3.0755	6.5402	5.5028	1.8501

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	112.036	C1	C2	H9	109.018
C1	C2	H10	109.063	C1	C3	C5	124.296
C1	C3	H11	116.307	C2	C1	C3	112.036
C2	C1	H7	109.018	C2	C1	H8	109.063
C2	C4	C6	124.296	C2	C4	H12	116.307
C3	C1	H7	109.816	C3	C1	H8	109.570
C3	C5	H13	121.660	C3	C5	H14	121.285
C4	C2	H9	109.816	C4	C2	H10	109.570
C4	C6	H15	121.660	C4	C6	H16	121.285
C5	C3	H11	119.388	C6	C4	H12	119.388
H7	C1	H8	107.213	H9	C2	H10	107.213
H13	C5	H14	117.055	H15	C6	H16	117.055

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

using model chemistry: CCSD(T)=FULL/TZVP

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(T)=FULL/TZVP

States and conformations

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