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	hartrees
Energy at 0K	-233.060543
Energy at 298.15K	-233.070278
HF Energy	-233.060543
Nuclear repulsion energy	215.089298

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3261	3142	14.22
2	A	3180	3064	9.97
3	A	3171	3054	33.80
4	A	3167	3051	17.37
5	A	3160	3045	1.57
6	A	3138	3023	5.50
7	A	3107	2993	16.11
8	A	3074	2961	10.56
9	A	3053	2941	22.46
10	A	3039	2927	20.41
11	A	1763	1699	0.71
12	A	1733	1669	9.02
13	A	1555	1498	12.51
14	A	1546	1489	10.02
15	A	1522	1467	16.64
16	A	1490	1435	2.62
17	A	1461	1407	7.82
18	A	1392	1340	0.98
19	A	1374	1324	0.45
20	A	1365	1315	2.77
21	A	1351	1302	0.54
22	A	1270	1224	1.10
23	A	1163	1120	5.72
24	A	1138	1096	3.89
25	A	1108	1067	0.70
26	A	1065	1026	3.13
27	A	1053	1014	11.55
28	A	1024	987	41.84
29	A	999	963	36.09
30	A	978	942	29.52
31	A	928	894	1.62
32	A	912	879	3.98
33	A	804	774	0.67
34	A	623	601	7.39
35	A	557	537	10.67
36	A	478	460	0.32
37	A	330	318	0.74
38	A	290	279	1.99
39	A	208	200	1.85
40	A	158	152	0.61
41	A	134	129	0.04
42	A	74	71	0.25

Atom	x (Å)	y (Å)	z (Å)
C1	2.693	0.478	-0.012
H2	2.935	1.165	-0.830
H3	2.539	1.066	0.895
H4	3.550	-0.184	0.141
C5	1.484	-0.297	-0.328
H6	1.490	-0.904	-1.174
C7	0.384	-0.247	0.429
H8	0.382	0.360	1.276
C9	-0.826	-1.019	0.113
H10	-0.637	-1.618	-0.783
H11	-1.034	-1.703	0.946
C12	-2.034	-0.194	-0.124
H13	-2.921	-0.692	-0.345
C14	-2.060	1.141	-0.078
H15	-2.950	1.649	-0.258
H16	-1.202	1.692	0.128

	C1	H2	H3	H4	C5	H6	C7	H8	C9	H10	H11	C12	H13	C14	H15	H16
C1		1.0952	1.0918	1.0940	1.4703	2.1704	2.4598	2.6476	3.8262	4.0094	4.4231	4.7760	5.7443	4.7988	5.7685	4.0825
H2	1.0952		1.7728	1.7719	2.1201	2.5477	3.1761	3.4058	4.4505	4.5285	5.2091	5.2003	6.1629	5.0513	5.9331	4.2799
H3	1.0918	1.7728		1.7763	2.1140	3.0443	2.5665	2.3012	4.0353	4.4843	4.5208	4.8520	5.8689	4.7010	5.6394	3.8703
H4	1.0940	1.7719	1.7763		2.1211	2.5480	3.1795	3.4085	4.4549	4.5206	4.8955	5.5905	6.5090	5.7680	6.7655	5.1094
C5	1.4703	2.1201	2.1140	2.1211		1.0411	1.3367	2.0541	2.4605	2.5398	3.1532	3.5263	4.4232	3.8328	4.8436	3.3743
H6	2.1704	2.5477	3.0443	2.5480	1.0411		2.0551	2.9708	2.6519	2.2765	3.3914	3.7452	4.4928	4.2403	5.2029	3.9604
C7	2.4598	3.1761	2.5665	3.1795	1.3367	2.0551		1.0418	1.4695	2.0954	2.0971	2.4813	3.4236	2.8557	3.8970	2.5237
H8	2.6476	3.4058	2.3012	3.4085	2.0541	2.9708	1.0418		2.1707	3.0314	2.5237	2.8469	3.8270	2.8992	3.8887	2.3673
C9	3.8262	4.4505	4.0353	4.4549	2.4605	2.6519	1.4695	2.1707		1.0950	1.0979	1.4822	2.1693	2.4944	3.4305	2.7371
H10	4.0094	4.5285	4.4843	4.5206	2.5398	2.2765	2.0954	3.0314	1.0950		1.7766	2.1021	2.5037	3.1835	4.0380	3.4800
H11	4.4231	5.2091	4.5208	4.8955	3.1532	3.3914	2.0971	2.5237	1.0979	1.7766		2.1035	2.5006	3.1922	4.0451	3.4967
C12	4.7760	5.2003	4.8520	5.5905	3.5263	3.7452	2.4813	2.8469	1.4822	2.1021	2.1035		1.0410	1.3355	2.0623	2.0765
H13	5.7443	6.1629	5.8689	6.5090	4.4232	4.4928	3.4236	3.8270	2.1693	2.5037	2.5006	1.0410		2.0428	2.3430	2.9770
C14	4.7988	5.0513	4.7010	5.7680	3.8328	4.2403	2.8557	2.8992	2.4944	3.1835	3.1922	1.3355	2.0428		1.0413	1.0397
H15	5.7685	5.9331	5.6394	6.7655	4.8436	5.2029	3.8970	3.8887	3.4305	4.0380	4.0451	2.0623	2.3430	1.0413		1.7905
H16	4.0825	4.2799	3.8703	5.1094	3.3743	3.9604	2.5237	2.3673	2.7371	3.4800	3.4967	2.0765	2.9770	1.0397	1.7905

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C5	H6	118.585	C1	C5	C7	122.331
H2	C1	H3	108.301	H2	C1	H4	108.073
H2	C1	C5	110.604	H3	C1	H4	108.709
H3	C1	C5	110.317	H4	C1	C5	110.759
C5	C7	H8	118.925	C5	C7	C9	122.450
H6	C5	C7	119.084	C7	C9	H10	108.708
C7	C9	H11	108.665	C7	C9	C12	114.412
H8	C7	C9	118.625	C9	C12	H13	117.505
C9	C12	C14	124.486	H10	C9	H11	108.226
H10	C9	C12	108.365	H11	C9	C12	108.306
C12	C14	H15	119.871	C12	C14	H16	121.411
H13	C12	C14	118.008	H15	C14	H16	118.716

All results from a given calculation for C₆H₁₀ (1,4-Hexadiene, (E)-)

using model chemistry: HSEh1PBE/3-21G

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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All results from a given calculation for C6H10 (1,4-Hexadiene, (E)-)

using model chemistry: HSEh1PBE/3-21G

States and conformations

All results from a given calculation for C₆H₁₀ (1,4-Hexadiene, (E)-)