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	hartrees
Energy at 0K	-234.076638
Energy at 298.15K	-234.086473
Nuclear repulsion energy	213.798274

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3282	3116	8.47
2	A'	3197	3036	12.08
3	A'	3187	3026	2.34
4	A'	3177	3017	7.54
5	A'	3168	3008	26.25
6	A'	3165	3005	15.63
7	A'	3076	2921	17.50
8	A'	3056	2902	23.82
9	A'	1715	1628	12.27
10	A'	1656	1573	3.52
11	A'	1523	1446	4.45
12	A'	1485	1410	5.01
13	A'	1460	1386	2.69
14	A'	1416	1344	6.03
15	A'	1380	1311	9.73
16	A'	1334	1266	4.59
17	A'	1316	1250	0.53
18	A'	1284	1219	0.27
19	A'	1206	1145	2.89
20	A'	1116	1059	2.98
21	A'	1042	990	2.58
22	A'	958	910	1.23
23	A'	908	862	2.11
24	A'	566	538	2.60
25	A'	467	443	0.40
26	A'	310	294	0.55
27	A'	150	142	0.57
28	A"	3163	3003	21.85
29	A"	3090	2934	10.81
30	A"	1514	1438	7.71
31	A"	1297	1232	0.21
32	A"	1107	1051	1.07
33	A"	1048	995	45.66
34	A"	984	934	5.18
35	A"	921	874	36.10
36	A"	862	818	0.42
37	A"	768	730	5.96
38	A"	638	606	1.40
39	A"	308	293	1.55
40	A"	237	225	0.45
41	A"	160	152	1.12
42	A"	113	108	0.33

Atom	x (Å)	y (Å)	z (Å)
H1	-0.056	3.946	0.000
H2	1.413	2.822	0.000
C3	0.338	2.941	0.000
H4	-1.547	2.020	0.000
C5	-0.472	1.872	0.000
H6	1.074	0.353	0.000
C7	0.000	0.500	0.000
H8	-1.894	-0.368	0.000
C9	-0.825	-0.560	0.000
H10	-0.862	-2.488	0.869
H11	-0.862	-2.488	-0.869
C12	-0.412	-1.999	0.000
H13	1.310	-3.302	0.000
H14	1.556	-1.797	-0.881
H15	1.556	-1.797	0.881
C16	1.090	-2.236	0.000

	H1	H2	C3	H4	C5	H6	C7	H8	C9	H10	H11	C12	H13	H14	H15	C16
H1		1.8498	1.0797	2.4356	2.1150	3.7669	3.4468	4.6890	4.5714	6.5422	6.5422	5.9558	7.3754	6.0295	6.0295	6.2874
H2	1.8498		1.0819	3.0671	2.1114	2.4929	2.7189	4.5952	4.0561	5.8422	5.8422	5.1555	6.1250	4.7046	4.7046	5.0687
C3	1.0797	1.0819		2.0978	1.3409	2.6908	2.4644	3.9910	3.6892	5.6273	5.6273	4.9966	6.3178	4.9704	4.9704	5.2312
H4	2.4356	3.0671	2.0978		1.0849	3.1065	2.1691	2.4129	2.6795	4.6419	4.6419	4.1764	6.0403	4.9974	4.9974	5.0069
C5	2.1150	2.1114	1.3409	1.0849		2.1681	1.4517	2.6532	2.4581	4.4631	4.4631	3.8720	5.4725	4.2841	4.2841	4.3954
H6	3.7669	2.4929	2.6908	3.1065	2.1681		1.0840	3.0544	2.1070	3.5457	3.5457	2.7820	3.6620	2.3725	2.3725	2.5887
C7	3.4468	2.7189	2.4644	2.1691	1.4517	1.0840		2.0833	1.3431	3.2286	3.2286	2.5326	4.0208	2.9105	2.9105	2.9448
H8	4.6890	4.5952	3.9910	2.4129	2.6532	3.0544	2.0833		1.0865	2.5132	2.5132	2.2041	4.3447	3.8370	3.8370	3.5209
C9	4.5714	4.0561	3.6892	2.6795	2.4581	2.1070	1.3431	1.0865		2.1148	2.1148	1.4969	3.4748	2.8239	2.8239	2.5446
H10	6.5422	5.8422	5.6273	4.6419	4.4631	3.5457	3.2286	2.5132	2.1148		1.7375	1.0936	2.4768	3.0637	2.5149	2.1514
H11	6.5422	5.8422	5.6273	4.6419	4.4631	3.5457	3.2286	2.5132	2.1148	1.7375		1.0936	2.4768	2.5149	3.0637	2.1514
C12	5.9558	5.1555	4.9966	4.1764	3.8720	2.7820	2.5326	2.2041	1.4969	1.0936	1.0936		2.1594	2.1659	2.1659	1.5208
H13	7.3754	6.1250	6.3178	6.0403	5.4725	3.6620	4.0208	4.3447	3.4748	2.4768	2.4768	2.1594		1.7611	1.7611	1.0882
H14	6.0295	4.7046	4.9704	4.9974	4.2841	2.3725	2.9105	3.8370	2.8239	3.0637	2.5149	2.1659	1.7611		1.7620	1.0891
H15	6.0295	4.7046	4.9704	4.9974	4.2841	2.3725	2.9105	3.8370	2.8239	2.5149	3.0637	2.1659	1.7611	1.7620		1.0891
C16	6.2874	5.0687	5.2312	5.0069	4.3954	2.5887	2.9448	3.5209	2.5446	2.1514	2.1514	1.5208	1.0882	1.0891	1.0891

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C3	H2	117.687	H1	C3	C5	121.424
H2	C3	C5	120.889	C3	C5	H4	119.347
C3	C5	C7	123.840	H4	C5	C7	116.813
C5	C7	H6	116.781	C5	C7	C9	123.121
H6	C7	C9	120.099	C7	C9	H8	117.679
C7	C9	C12	126.102	H8	C9	C12	116.219
C9	C12	H10	108.440	C9	C12	H11	108.440
C9	C12	C16	114.966	H10	C12	H11	105.192
H10	C12	C16	109.670	H11	C12	C16	109.670
C12	C16	H13	110.629	C12	C16	H14	111.090
C12	C16	H15	111.090	H13	C16	H14	107.963
H13	C16	H15	107.963	H14	C16	H15	107.974

All results from a given calculation for C₆H₁₀ (1,3-Hexadiene, (E)-)

using model chemistry: MP2/cc-pVTZ

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 (1,3-Hexadiene, (E)-)

using model chemistry: MP2/cc-pVTZ

States and conformations

All results from a given calculation for C₆H₁₀ (1,3-Hexadiene, (E)-)