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	hartrees
Energy at 0K	-234.372594
Energy at 298.15K	-234.382032
HF Energy	-234.372594
Nuclear repulsion energy	208.220474

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3163	3020	0.00
2	A_g	3151	3009	0.00
3	A_g	3139	2997	0.00
4	A_g	3042	2904	0.00
5	A_g	1754	1675	0.00
6	A_g	1494	1427	0.00
7	A_g	1418	1354	0.00
8	A_g	1356	1295	0.00
9	A_g	1324	1264	0.00
10	A_g	1208	1153	0.00
11	A_g	1134	1083	0.00
12	A_g	938	896	0.00
13	A_g	437	417	0.00
14	A_g	335	320	0.00
15	A_u	3100	2960	33.52
16	A_u	1477	1411	17.73
17	A_u	1059	1011	0.46
18	A_u	1029	983	83.10
19	A_u	773	738	5.31
20	A_u	251	240	1.46
21	A_u	167	160	0.09
22	A_u	105	101	2.78
23	B_g	3100	2960	0.00
24	B_g	1478	1411	0.00
25	B_g	1062	1014	0.00
26	B_g	968	924	0.00
27	B_g	867	828	0.00
28	B_g	342	327	0.00
29	B_g	196	187	0.00
30	B_u	3166	3023	99.01
31	B_u	3156	3013	3.36
32	B_u	3139	2997	14.85
33	B_u	3041	2904	88.88
34	B_u	1714	1637	6.34
35	B_u	1488	1421	28.87
36	B_u	1412	1348	6.46
37	B_u	1333	1273	2.42
38	B_u	1262	1205	1.95
39	B_u	1102	1053	0.26
40	B_u	948	905	38.99
41	B_u	544	520	0.08
42	B_u	140	133	1.44

Atom	x (Å)	y (Å)	z (Å)
C1	-0.321	-3.080	0.000
C2	0.321	3.080	0.000
C3	0.321	0.612	0.000
C4	-0.321	-0.612	0.000
C5	-0.351	1.780	0.000
C6	0.351	-1.780	0.000
H7	-1.405	-2.941	0.000
H8	1.405	2.941	0.000
H9	-0.044	-3.661	0.877
H10	-0.044	-3.661	-0.877
H11	0.044	3.661	0.877
H12	0.044	3.661	-0.877
H13	1.360	0.644	0.000
H14	-1.360	-0.644	0.000
H15	-1.397	1.760	0.000
H16	1.397	-1.760	0.000

	C1	C2	C3	C4	C5	C6	H7	H8	H9	H10	H11	H12	H13	H14	H15	H16
C1		6.1933	3.7473	2.4680	4.8605	1.4631	1.0928	6.2630	1.0883	1.0883	6.8080	6.8080	4.0857	2.6482	4.9579	2.1668
C2	6.1933		2.4680	3.7473	1.4631	4.8605	6.2630	1.0928	6.8080	6.8080	1.0883	1.0883	2.6482	4.0857	2.1668	4.9579
C3	3.7473	2.4680		1.3819	1.3480	2.3926	3.9494	2.5685	4.3778	4.3778	3.1851	3.1851	1.0395	2.0980	2.0660	2.6045
C4	2.4680	3.7473	1.3819		2.3926	1.3480	2.5685	3.9494	3.1851	3.1851	4.3778	4.3778	2.0980	1.0395	2.6045	2.0660
C5	4.8605	1.4631	1.3480	2.3926		3.6296	4.8371	2.1047	5.5206	5.5206	2.1129	2.1129	2.0541	2.6258	1.0460	3.9484
C6	1.4631	4.8605	2.3926	1.3480	3.6296		2.1047	4.8371	2.1129	2.1129	5.5206	5.5206	2.6258	2.0541	3.9484	1.0460
H7	1.0928	6.2630	3.9494	2.5685	4.8371	2.1047		6.5177	1.7720	1.7720	6.8158	6.8158	4.5268	2.2969	4.7002	3.0406
H8	6.2630	1.0928	2.5685	3.9494	2.1047	4.8371	6.5177		6.8158	6.8158	1.7720	1.7720	2.2969	4.5268	3.0406	4.7002
H9	1.0883	6.8080	4.3778	3.1851	5.5206	2.1129	1.7720	6.8158		1.7549	7.3233	7.5306	4.6128	3.4065	5.6557	2.5426
H10	1.0883	6.8080	4.3778	3.1851	5.5206	2.1129	1.7720	6.8158	1.7549		7.5306	7.3233	4.6128	3.4065	5.6557	2.5426
H11	6.8080	1.0883	3.1851	4.3778	2.1129	5.5206	6.8158	1.7720	7.3233	7.5306		1.7549	3.4065	4.6128	2.5426	5.6557
H12	6.8080	1.0883	3.1851	4.3778	2.1129	5.5206	6.8158	1.7720	7.5306	7.3233	1.7549		3.4065	4.6128	2.5426	5.6557
H13	4.0857	2.6482	1.0395	2.0980	2.0541	2.6258	4.5268	2.2969	4.6128	4.6128	3.4065	3.4065		3.0091	2.9741	2.4040
H14	2.6482	4.0857	2.0980	1.0395	2.6258	2.0541	2.2969	4.5268	3.4065	3.4065	4.6128	4.6128	3.0091		2.4040	2.9741
H15	4.9579	2.1668	2.0660	2.6045	1.0460	3.9484	4.7002	3.0406	5.6557	5.6557	2.5426	2.5426	2.9741	2.4040		4.4938
H16	2.1668	4.9579	2.6045	2.0660	3.9484	1.0460	3.0406	4.7002	2.5426	2.5426	5.6557	5.6557	2.4040	2.9741	4.4938

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C6	C4	122.743	C1	C6	H16	118.490
C2	C5	C3	122.743	C2	C5	H15	118.490
C3	C4	C6	122.436	C3	C4	H14	119.424
C3	C5	H15	118.767	C4	C3	C5	122.436
C4	C3	H13	119.424	C4	C6	H16	118.767
C5	C2	H8	110.019	C5	C2	H11	110.965
C5	C2	H12	110.965	C5	C3	H13	118.140
C6	C1	H7	110.019	C6	C1	H9	110.965
C6	C1	H10	110.965	C6	C4	H14	118.140
H7	C1	H9	108.668	H7	C1	H10	108.668
H8	C2	H11	108.668	H8	C2	H12	108.668
H9	C1	H10	107.471	H11	C2	H12	107.471

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

using model chemistry: HSEh1PBE/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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Number	Element	Mulliken
1	C	-0.799
2	C	-0.799
3	C	-0.038
4	C	-0.038
5	C	0.035
6	C	0.035
7	H	0.168
8	H	0.168
9	H	0.175
10	H	0.175
11	H	0.175
12	H	0.175
13	H	0.138
14	H	0.138
15	H	0.146
16	H	0.146

	x	y	z
x	9.425	-1.217	0.000
y	-1.217	19.499	0.000
z	0.000	0.000	7.483

<r²>	290.326
(<r²>)^1/2	17.039

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

using model chemistry: HSEh1PBE/6-31+G**

States and conformations

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