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	hartrees
Energy at 0K	-234.497957
Energy at 298.15K	-234.507213
HF Energy	-234.497957
Nuclear repulsion energy	207.028807

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3083	3030	0.00
2	A_g	3072	3019	0.00
3	A_g	3057	3004	0.00
4	A_g	2963	2912	0.00
5	A_g	1679	1650	0.00
6	A_g	1469	1444	0.00
7	A_g	1389	1365	0.00
8	A_g	1332	1310	0.00
9	A_g	1295	1272	0.00
10	A_g	1178	1158	0.00
11	A_g	1096	1077	0.00
12	A_g	920	904	0.00
13	A_g	428	421	0.00
14	A_g	330	324	0.00
15	A_u	3013	2961	49.50
16	A_u	1452	1427	14.38
17	A_u	1031	1013	0.07
18	A_u	997	980	74.80
19	A_u	742	730	5.69
20	A_u	243	239	1.32
21	A_u	156	153	0.05
22	A_u	98	97	2.79
23	B_g	3012	2961	0.00
24	B_g	1453	1428	0.00
25	B_g	1034	1017	0.00
26	B_g	931	915	0.00
27	B_g	829	815	0.00
28	B_g	328	322	0.00
29	B_g	184	180	0.00
30	B_u	3087	3034	136.05
31	B_u	3076	3023	3.81
32	B_u	3057	3004	21.77
33	B_u	2962	2911	125.22
34	B_u	1647	1619	6.71
35	B_u	1463	1438	26.16
36	B_u	1385	1361	6.48
37	B_u	1308	1285	2.52
38	B_u	1241	1220	3.92
39	B_u	1072	1054	0.63
40	B_u	923	907	38.67
41	B_u	537	527	0.05
42	B_u	137	134	1.38

Atom	x (Å)	y (Å)	z (Å)
C1	-0.324	-3.186	0.000
C2	0.324	3.186	0.000
C3	0.324	0.651	0.000
C4	-0.324	-0.651	0.000
C5	-0.333	1.835	0.000
C6	0.333	-1.835	0.000
H7	-1.419	-3.101	0.000
H8	1.419	3.101	0.000
H9	-0.027	-3.775	0.883
H10	-0.027	-3.775	-0.883
H11	0.027	3.775	0.883
H12	0.027	3.775	-0.883
H13	1.419	0.654	0.000
H14	-1.419	-0.654	0.000
H15	-1.428	1.824	0.000
H16	1.428	-1.824	0.000

	C1	C2	C3	C4	C5	C6	H7	H8	H9	H10	H11	H12	H13	H14	H15	H16
C1		6.4046	3.8915	2.5345	5.0212	1.5018	1.0986	6.5238	1.1021	1.1021	7.0253	7.0253	4.2171	2.7586	5.1305	2.2188
C2	6.4046		2.5345	3.8915	1.5018	5.0212	6.5238	1.0986	7.0253	7.0253	1.1021	1.1021	2.7586	4.2171	2.2188	5.1305
C3	3.8915	2.5345		1.4547	1.3538	2.4867	4.1372	2.6832	4.5271	4.5271	3.2595	3.2595	1.0956	2.1777	2.1083	2.7109
C4	2.5345	3.8915	1.4547		2.4867	1.3538	2.6832	4.1372	3.2595	3.2595	4.5271	4.5271	2.1777	1.0956	2.7109	2.1083
C5	5.0212	1.5018	1.3538	2.4867		3.7304	5.0542	2.1612	5.6875	5.6875	2.1612	2.1612	2.1131	2.7162	1.0953	4.0613
C6	1.5018	5.0212	2.4867	1.3538	3.7304		2.1612	5.0542	2.1612	2.1612	5.6875	5.6875	2.7162	2.1131	4.0613	1.0953
H7	1.0986	6.5238	4.1372	2.6832	5.0542	2.1612		6.8202	1.7812	1.7812	7.0814	7.0814	4.7070	2.4467	4.9252	3.1202
H8	6.5238	1.0986	2.6832	4.1372	2.1612	5.0542	6.8202		7.0814	7.0814	1.7812	1.7812	2.4467	4.7070	3.1202	4.9252
H9	1.1021	7.0253	4.5271	3.2595	5.6875	2.1612	1.7812	7.0814		1.7656	7.5501	7.7538	4.7420	3.5297	5.8392	2.5885
H10	1.1021	7.0253	4.5271	3.2595	5.6875	2.1612	1.7812	7.0814	1.7656		7.7538	7.5501	4.7420	3.5297	5.8392	2.5885
H11	7.0253	1.1021	3.2595	4.5271	2.1612	5.6875	7.0814	1.7812	7.5501	7.7538		1.7656	3.5297	4.7420	2.5885	5.8392
H12	7.0253	1.1021	3.2595	4.5271	2.1612	5.6875	7.0814	1.7812	7.7538	7.5501	1.7656		3.5297	4.7420	2.5885	5.8392
H13	4.2171	2.7586	1.0956	2.1777	2.1131	2.7162	4.7070	2.4467	4.7420	4.7420	3.5297	3.5297		3.1256	3.0785	2.4785
H14	2.7586	4.2171	2.1777	1.0956	2.7162	2.1131	2.4467	4.7070	3.5297	3.5297	4.7420	4.7420	3.1256		2.4785	3.0785
H15	5.1305	2.2188	2.1083	2.7109	1.0953	4.0613	4.9252	3.1202	5.8392	5.8392	2.5885	2.5885	3.0785	2.4785		4.6337
H16	2.2188	5.1305	2.7109	2.1083	4.0613	1.0953	3.1202	4.9252	2.5885	2.5885	5.8392	5.8392	2.4785	3.0785	4.6337

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C6	C4	125.117	C1	C6	H16	116.454
C2	C5	C3	125.117	C2	C5	H15	116.454
C3	C4	C6	124.610	C3	C4	H14	116.490
C3	C5	H15	118.428	C4	C3	C5	124.610
C4	C3	H13	116.490	C4	C6	H16	118.428
C5	C2	H8	111.441	C5	C2	H11	111.325
C5	C2	H12	111.325	C5	C3	H13	118.900
C6	C1	H7	111.441	C6	C1	H9	111.325
C6	C1	H10	111.325	C6	C4	H14	118.900
H7	C1	H9	108.031	H7	C1	H10	108.031
H8	C2	H11	108.031	H8	C2	H12	108.031
H9	C1	H10	106.473	H11	C2	H12	106.473

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

using model chemistry: B97D3/6-31+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	-0.767
2	C	-0.767
3	C	-0.040
4	C	-0.040
5	C	0.075
6	C	0.075
7	H	0.156
8	H	0.156
9	H	0.163
10	H	0.163
11	H	0.163
12	H	0.163
13	H	0.119
14	H	0.119
15	H	0.130
16	H	0.130

	x	y	z
x	9.774	-1.081	0.000
y	-1.081	20.689	0.000
z	0.000	0.000	7.736

<r²>	293.711
(<r²>)^1/2	17.138

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

using model chemistry: B97D3/6-31+G**

States and conformations

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