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	hartrees
Energy at 0K	-38.727867
Energy at 298.15K	-38.737572
Nuclear repulsion energy	113.657161

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3303	2984	0.00
2	A_g	3299	2981	0.00
3	A_g	3257	2942	0.00
4	A_g	3174	2868	0.00
5	A_g	1876	1695	0.00
6	A_g	1627	1469	0.00
7	A_g	1552	1402	0.00
8	A_g	1464	1322	0.00
9	A_g	1424	1287	0.00
10	A_g	1269	1146	0.00
11	A_g	1160	1048	0.00
12	A_g	995	899	0.00
13	A_g	452	408	0.00
14	A_g	352	318	0.00
15	A_u	3226	2914	99.91
16	A_u	1612	1456	11.62
17	A_u	1165	1053	13.41
18	A_u	1119	1011	85.31
19	A_u	837	756	2.56
20	A_u	246	223	1.60
21	A_u	172	155	0.42
22	A_u	106	96	1.62
23	B_g	3226	2914	0.00
24	B_g	1612	1456	0.00
25	B_g	1166	1054	0.00
26	B_g	1067	964	0.00
27	B_g	941	850	0.00
28	B_g	359	325	0.00
29	B_g	200	181	0.00
30	B_u	3312	2992	107.18
31	B_u	3296	2978	32.71
32	B_u	3257	2942	52.73
33	B_u	3173	2867	147.80
34	B_u	1815	1639	2.68
35	B_u	1622	1466	13.71
36	B_u	1544	1395	20.87
37	B_u	1436	1298	2.85
38	B_u	1361	1229	3.71
39	B_u	1165	1052	0.78
40	B_u	990	895	14.76
41	B_u	574	518	0.35
42	B_u	149	134	1.33

Atom	x (Å)	y (Å)	z (Å)
C1	1.128	-2.996	0.000
C2	-1.128	2.996	0.000
C3	0.000	0.739	0.000
C4	0.000	-0.739	0.000
C5	-1.103	1.485	0.000
C6	1.103	-1.485	0.000
H7	0.123	-3.408	0.000
H8	-0.123	3.408	0.000
H9	1.652	-3.375	0.876
H10	1.652	-3.375	-0.876
H11	-1.652	3.375	0.876
H12	-1.652	3.375	-0.876
H13	0.969	1.220	0.000
H14	-0.969	-1.220	0.000
H15	-2.066	0.991	0.000
H16	2.066	-0.991	0.000

	C1	C2	C3	C4	C5	C6	H7	H8	H9	H10	H11	H12	H13	H14	H15	H16
C1		6.4021	3.9010	2.5232	5.0051	1.5113	1.0860	6.5244	1.0885	1.0885	7.0054	7.0054	4.2185	2.7477	5.1089	2.2131
C2	6.4021		2.5232	3.9010	1.5113	5.0051	6.5244	1.0860	7.0054	7.0054	1.0885	1.0885	2.7477	4.2185	2.2131	5.1089
C3	3.9010	2.5232		1.4773	1.3316	2.4818	4.1481	2.6718	4.5182	4.5182	3.2316	3.2316	1.0815	2.1849	2.0817	2.6949
C4	2.5232	3.9010	1.4773		2.4818	1.3316	2.6718	4.1481	3.2316	3.2316	4.5182	4.5182	2.1849	1.0815	2.6949	2.0817
C5	5.0051	1.5113	1.3316	2.4818		3.6991	5.0435	2.1583	5.6540	5.6540	2.1542	2.1542	2.0886	2.7077	1.0822	4.0219
C6	1.5113	5.0051	2.4818	1.3316	3.6991		2.1583	5.0435	2.1542	2.1542	5.6540	5.6540	2.7077	2.0886	4.0219	1.0822
H7	1.0860	6.5244	4.1481	2.6718	5.0435	2.1583		6.8196	1.7619	1.7619	7.0651	7.0651	4.7040	2.4451	4.9137	3.1007
H8	6.5244	1.0860	2.6718	4.1481	2.1583	5.0435	6.8196		7.0651	7.0651	1.7619	1.7619	2.4451	4.7040	3.1007	4.9137
H9	1.0885	7.0054	4.5182	3.2316	5.6540	2.1542	1.7619	7.0651		1.7517	7.5143	7.7158	4.7268	3.5038	5.8011	2.5728
H10	1.0885	7.0054	4.5182	3.2316	5.6540	2.1542	1.7619	7.0651	1.7517		7.7158	7.5143	4.7268	3.5038	5.8011	2.5728
H11	7.0054	1.0885	3.2316	4.5182	2.1542	5.6540	7.0651	1.7619	7.5143	7.7158		1.7517	3.5038	4.7268	2.5728	5.8011
H12	7.0054	1.0885	3.2316	4.5182	2.1542	5.6540	7.0651	1.7619	7.7158	7.5143	1.7517		3.5038	4.7268	2.5728	5.8011
H13	4.2185	2.7477	1.0815	2.1849	2.0886	2.7077	4.7040	2.4451	4.7268	4.7268	3.5038	3.5038		3.1152	3.0436	2.4686
H14	2.7477	4.2185	2.1849	1.0815	2.7077	2.0886	2.4451	4.7040	3.5038	3.5038	4.7268	4.7268	3.1152		2.4686	3.0436
H15	5.1089	2.2131	2.0817	2.6949	1.0822	4.0219	4.9137	3.1007	5.8011	5.8011	2.5728	2.5728	3.0436	2.4686		4.5837
H16	2.2131	5.1089	2.6949	2.0817	4.0219	1.0822	3.1007	4.9137	2.5728	2.5728	5.8011	5.8011	2.4686	3.0436	4.5837

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C6	C4	125.012	C1	C6	H16	116.169
C2	C5	C3	125.012	C2	C5	H15	116.169
C3	C4	C6	124.065	C3	C4	H14	116.415
C3	C5	H15	118.819	C4	C3	C5	124.065
C4	C3	H13	116.415	C4	C6	H16	118.819
C5	C2	H8	111.343	C5	C2	H11	110.857
C5	C2	H12	110.857	C5	C3	H13	119.520
C6	C1	H7	111.343	C6	C1	H9	110.857
C6	C1	H10	110.857	C6	C4	H14	119.520
H7	C1	H9	108.241	H7	C1	H10	108.241
H8	C2	H11	108.241	H8	C2	H12	108.241
H9	C1	H10	107.150	H11	C2	H12	107.150

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

using model chemistry: HF/CEP-121G*

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	-0.559
2	C	-0.559
3	C	-0.159
4	C	-0.159
5	C	-0.181
6	C	-0.181
7	H	0.177
8	H	0.177
9	H	0.164
10	H	0.164
11	H	0.164
12	H	0.164
13	H	0.199
14	H	0.199
15	H	0.195
16	H	0.195

	x	y	z
x	12.144	-4.574	0.000
y	-4.574	14.499	0.000
z	0.000	0.000	6.484

<r²>	235.415
(<r²>)^1/2	15.343

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

using model chemistry: HF/CEP-121G*

States and conformations

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