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	hartrees
Energy at 0K	-233.077462
Energy at 298.15K	-233.087279
Nuclear repulsion energy	209.357829

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3275	2975	0.00
2	A_g	3271	2972	0.00
3	A_g	3223	2928	0.00
4	A_g	3148	2860	0.00
5	A_g	1885	1713	0.00
6	A_g	1611	1463	0.00
7	A_g	1541	1400	0.00
8	A_g	1468	1334	0.00
9	A_g	1433	1302	0.00
10	A_g	1274	1157	0.00
11	A_g	1163	1057	0.00
12	A_g	999	908	0.00
13	A_g	458	416	0.00
14	A_g	357	325	0.00
15	A_u	3187	2896	60.95
16	A_u	1596	1451	12.19
17	A_u	1169	1063	7.03
18	A_u	1122	1019	82.74
19	A_u	851	773	2.11
20	A_u	257	234	1.08
21	A_u	177	161	0.30
22	A_u	108	98	1.99
23	B_g	3187	2896	0.00
24	B_g	1597	1451	0.00
25	B_g	1171	1064	0.00
26	B_g	1074	975	0.00
27	B_g	963	875	0.00
28	B_g	367	333	0.00
29	B_g	211	191	0.00
30	B_u	3284	2984	68.57
31	B_u	3268	2969	23.41
32	B_u	3223	2929	38.60
33	B_u	3147	2859	108.49
34	B_u	1826	1659	3.77
35	B_u	1606	1459	18.79
36	B_u	1535	1395	14.24
37	B_u	1445	1313	3.05
38	B_u	1368	1243	3.75
39	B_u	1168	1061	1.42
40	B_u	994	903	20.87
41	B_u	581	528	0.28
42	B_u	151	138	1.63

Atom	x (Å)	y (Å)	z (Å)
C1	-0.317	-3.160	0.000
C2	0.317	3.160	0.000
C3	0.325	0.656	0.000
C4	-0.325	-0.656	0.000
C5	-0.325	1.806	0.000
C6	0.325	-1.806	0.000
H7	-1.397	-3.086	0.000
H8	1.397	3.086	0.000
H9	-0.017	-3.732	0.873
H10	-0.017	-3.732	-0.873
H11	0.017	3.732	0.873
H12	0.017	3.732	-0.873
H13	1.402	0.658	0.000
H14	-1.402	-0.658	0.000
H15	-1.403	1.792	0.000
H16	1.403	-1.792	0.000

	C1	C2	C3	C4	C5	C6	H7	H8	H9	H10	H11	H12	H13	H14	H15	H16
C1		6.3523	3.8699	2.5042	4.9662	1.4988	1.0825	6.4777	1.0855	1.0855	6.9548	6.9548	4.1874	2.7276	5.0697	2.1982
C2	6.3523		2.5042	3.8699	1.4988	4.9662	6.4777	1.0825	6.9548	6.9548	1.0855	1.0855	2.7276	4.1874	2.1982	5.0697
C3	3.8699	2.5042		1.4640	1.3207	2.4621	4.1196	2.6565	4.4865	4.4865	3.2117	3.2117	1.0777	2.1700	2.0676	2.6749
C4	2.5042	3.8699	1.4640		2.4621	1.3207	2.6565	4.1196	3.2117	3.2117	4.4865	4.4865	2.1700	1.0777	2.6749	2.0676
C5	4.9662	1.4988	1.3207	2.4621		3.6700	5.0085	2.1459	5.6143	5.6143	2.1415	2.1415	2.0741	2.6891	1.0784	3.9912
C6	1.4988	4.9662	2.4621	1.3207	3.6700		2.1459	5.0085	2.1415	2.1415	5.6143	5.6143	2.6891	2.0741	3.9912	1.0784
H7	1.0825	6.4777	4.1196	2.6565	5.0085	2.1459		6.7759	1.7561	1.7561	7.0175	7.0175	4.6751	2.4286	4.8782	3.0851
H8	6.4777	1.0825	2.6565	4.1196	2.1459	5.0085	6.7759		7.0175	7.0175	1.7561	1.7561	2.4286	4.6751	3.0851	4.8782
H9	1.0855	6.9548	4.4865	3.2117	5.6143	2.1415	1.7561	7.0175		1.7454	7.4631	7.6645	4.6948	3.4828	5.7612	2.5573
H10	1.0855	6.9548	4.4865	3.2117	5.6143	2.1415	1.7561	7.0175	1.7454		7.6645	7.4631	4.6948	3.4828	5.7612	2.5573
H11	6.9548	1.0855	3.2117	4.4865	2.1415	5.6143	7.0175	1.7561	7.4631	7.6645		1.7454	3.4828	4.6948	2.5573	5.7612
H12	6.9548	1.0855	3.2117	4.4865	2.1415	5.6143	7.0175	1.7561	7.6645	7.4631	1.7454		3.4828	4.6948	2.5573	5.7612
H13	4.1874	2.7276	1.0777	2.1700	2.0741	2.6891	4.6751	2.4286	4.6948	4.6948	3.4828	3.4828		3.0980	3.0260	2.4496
H14	2.7276	4.1874	2.1700	1.0777	2.6891	2.0741	2.4286	4.6751	3.4828	3.4828	4.6948	4.6948	3.0980		2.4496	3.0260
H15	5.0697	2.1982	2.0676	2.6749	1.0784	3.9912	4.8782	3.0851	5.7612	5.7612	2.5573	2.5573	3.0260	2.4496		4.5516
H16	2.1982	5.0697	2.6749	2.0676	3.9912	1.0784	3.0851	4.8782	2.5573	2.5573	5.7612	5.7612	2.4496	3.0260	4.5516

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C6	C4	125.174	C1	C6	H16	116.120
C2	C5	C3	125.174	C2	C5	H15	116.120
C3	C4	C6	124.211	C3	C4	H14	116.421
C3	C5	H15	118.706	C4	C3	C5	124.211
C4	C3	H13	116.421	C4	C6	H16	118.706
C5	C2	H8	111.454	C5	C2	H11	110.909
C5	C2	H12	110.909	C5	C3	H13	119.368
C6	C1	H7	111.454	C6	C1	H9	110.909
C6	C1	H10	110.909	C6	C4	H14	119.368
H7	C1	H9	108.192	H7	C1	H10	108.192
H8	C2	H11	108.192	H8	C2	H12	108.192
H9	C1	H10	107.019	H11	C2	H12	107.019

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

using model chemistry: HF/6-311+G(3df,2p)

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	-0.439
2	C	-0.439
3	C	0.003
4	C	0.003
5	C	-0.130
6	C	-0.130
7	H	0.110
8	H	0.110
9	H	0.132
10	H	0.132
11	H	0.132
12	H	0.132
13	H	0.096
14	H	0.096
15	H	0.097
16	H	0.097

	x	y	z
x	9.416	-1.282	0.000
y	-1.282	18.301	0.000
z	0.000	0.000	7.885

<r²>	0.000
(<r²>)^1/2	0.000

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

using model chemistry: HF/6-311+G(3df,2p)

States and conformations

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