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	hartrees
Energy at 0K	-234.325670
Energy at 298.15K	-234.335103
HF Energy	-234.070200
Nuclear repulsion energy	207.939002

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3174	3013	0.00
2	A_g	3163	3003	0.00
3	A_g	3150	2990	0.00
4	A_g	3063	2908	0.00
5	A_g	1755	1665	0.00
6	A_g	1545	1466	0.00
7	A_g	1463	1389	0.00
8	A_g	1388	1317	0.00
9	A_g	1349	1280	0.00
10	A_g	1221	1159	0.00
11	A_g	1136	1078	0.00
12	A_g	956	907	0.00
13	A_g	438	416	0.00
14	A_g	337	320	0.00
15	A_u	3116	2958	51.09
16	A_u	1528	1451	11.44
17	A_u	1085	1030	0.12
18	A_u	1042	989	52.74
19	A_u	769	730	4.38
20	A_u	245	233	1.26
21	A_u	167	158	0.08
22	A_u	104	99	1.40
23	B_g	3116	2958	0.00
24	B_g	1529	1451	0.00
25	B_g	1088	1033	0.00
26	B_g	984	934	0.00
27	B_g	858	815	0.00
28	B_g	341	324	0.00
29	B_g	195	185	0.00
30	B_u	3177	3016	101.71
31	B_u	3166	3006	3.43
32	B_u	3151	2991	18.72
33	B_u	3063	2907	84.25
34	B_u	1713	1626	4.61
35	B_u	1540	1462	15.52
36	B_u	1458	1384	10.08
37	B_u	1360	1291	2.27
38	B_u	1293	1228	3.32
39	B_u	1117	1060	2.00
40	B_u	960	911	24.33
41	B_u	549	521	0.02
42	B_u	141	134	1.16

Atom	x (Å)	y (Å)	z (Å)
C1	-0.321	-3.083	0.000
C2	0.321	3.083	0.000
C3	0.321	0.612	0.000
C4	-0.321	-0.612	0.000
C5	-0.352	1.781	0.000
C6	0.352	-1.781	0.000
H7	-1.404	-2.943	0.000
H8	1.404	2.943	0.000
H9	-0.045	-3.664	0.877
H10	-0.045	-3.664	-0.877
H11	0.045	3.664	0.877
H12	0.045	3.664	-0.877
H13	1.359	0.645	0.000
H14	-1.359	-0.645	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		6.1984	3.7502	2.4702	4.8635	1.4654	1.0925	6.2679	1.0878	1.0878	6.8134	6.8134	4.0879	2.6497	4.9608	2.1678
C2	6.1984		2.4702	3.7502	1.4654	4.8635	6.2679	1.0925	6.8134	6.8134	1.0878	1.0878	2.6497	4.0879	2.1678	4.9608
C3	3.7502	2.4702		1.3825	1.3485	2.3934	3.9520	2.5705	4.3809	4.3809	3.1873	3.1873	1.0383	2.0975	2.0658	2.6051
C4	2.4702	3.7502	1.3825		2.3934	1.3485	2.5705	3.9520	3.1873	3.1873	4.3809	4.3809	2.0975	1.0383	2.6051	2.0658
C5	4.8635	1.4654	1.3485	2.3934		3.6307	4.8398	2.1064	5.5238	5.5238	2.1153	2.1153	2.0538	2.6258	1.0448	3.9494
C6	1.4654	4.8635	2.3934	1.3485	3.6307		2.1064	4.8398	2.1153	2.1153	5.5238	5.5238	2.6258	2.0538	3.9494	1.0448
H7	1.0925	6.2679	3.9520	2.5705	4.8398	2.1064		6.5223	1.7708	1.7708	6.8213	6.8213	4.5283	2.2992	4.7034	3.0409
H8	6.2679	1.0925	2.5705	3.9520	2.1064	4.8398	6.5223		6.8213	6.8213	1.7708	1.7708	2.2992	4.5283	3.0409	4.7034
H9	1.0878	6.8134	4.3809	3.1873	5.5238	2.1153	1.7708	6.8213		1.7539	7.3291	7.5361	4.6158	3.4077	5.6586	2.5446
H10	1.0878	6.8134	4.3809	3.1873	5.5238	2.1153	1.7708	6.8213	1.7539		7.5361	7.3291	4.6158	3.4077	5.6586	2.5446
H11	6.8134	1.0878	3.1873	4.3809	2.1153	5.5238	6.8213	1.7708	7.3291	7.5361		1.7539	3.4077	4.6158	2.5446	5.6586
H12	6.8134	1.0878	3.1873	4.3809	2.1153	5.5238	6.8213	1.7708	7.5361	7.3291	1.7539		3.4077	4.6158	2.5446	5.6586
H13	4.0879	2.6497	1.0383	2.0975	2.0538	2.6258	4.5283	2.2992	4.6158	4.6158	3.4077	3.4077		3.0073	2.9727	2.4049
H14	2.6497	4.0879	2.0975	1.0383	2.6258	2.0538	2.2992	4.5283	3.4077	3.4077	4.6158	4.6158	3.0073		2.4049	2.9727
H15	4.9608	2.1678	2.0658	2.6051	1.0448	3.9494	4.7034	3.0409	5.6586	5.6586	2.5446	2.5446	2.9727	2.4049		4.4941
H16	2.1678	4.9608	2.6051	2.0658	3.9494	1.0448	3.0409	4.7034	2.5446	2.5446	5.6586	5.6586	2.4049	2.9727	4.4941

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C6	C4	122.718	C1	C6	H16	118.480
C2	C5	C3	122.718	C2	C5	H15	118.480
C3	C4	C6	122.414	C3	C4	H14	119.422
C3	C5	H15	118.803	C4	C3	C5	122.414
C4	C3	H13	119.422	C4	C6	H16	118.803
C5	C2	H8	110.018	C5	C2	H11	111.024
C5	C2	H12	111.024	C5	C3	H13	118.165
C6	C1	H7	110.018	C6	C1	H9	111.024
C6	C1	H10	111.024	C6	C4	H14	118.165
H7	C1	H9	108.621	H7	C1	H10	108.621
H8	C2	H11	108.621	H8	C2	H12	108.621
H9	C1	H10	107.444	H11	C2	H12	107.444

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

using model chemistry: B2PLYP/6-31G*

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	-0.501
2	C	-0.501
3	C	-0.132
4	C	-0.132
5	C	-0.140
6	C	-0.140
7	H	0.161
8	H	0.161
9	H	0.163
10	H	0.163
11	H	0.163
12	H	0.163
13	H	0.142
14	H	0.142
15	H	0.144
16	H	0.144

	x	y	z
x	8.475	-1.117	0.000
y	-1.117	17.341	0.000
z	0.000	0.000	5.287

<r²>	290.963
(<r²>)^1/2	17.058

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

using model chemistry: B2PLYP/6-31G*

States and conformations

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