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	hartrees
Energy at 0K	-233.810082
Energy at 298.15K	-233.819888
HF Energy	-232.990961
Nuclear repulsion energy	212.735835

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3296	3094	15.67
2	A'	3216	3018	15.94
3	A'	3212	3015	3.26
4	A'	3198	3001	13.94
5	A'	3185	2989	15.65
6	A'	3183	2988	34.09
7	A'	3104	2913	16.53
8	A'	3076	2887	28.48
9	A'	1792	1682	7.99
10	A'	1725	1619	2.46
11	A'	1569	1472	5.36
12	A'	1548	1453	2.28
13	A'	1501	1409	1.43
14	A'	1476	1386	6.83
15	A'	1434	1346	9.10
16	A'	1381	1296	3.69
17	A'	1358	1274	1.38
18	A'	1335	1253	0.24
19	A'	1236	1160	3.58
20	A'	1137	1067	2.23
21	A'	1073	1007	1.36
22	A'	980	920	1.36
23	A'	924	867	1.43
24	A'	580	545	2.00
25	A'	478	448	0.26
26	A'	318	299	0.43
27	A'	155	145	0.53
28	A"	3183	2987	29.39
29	A"	3105	2914	18.80
30	A"	1559	1463	6.50
31	A"	1333	1251	0.09
32	A"	1146	1076	1.42
33	A"	1046	981	43.98
34	A"	994	933	3.13
35	A"	918	861	40.82
36	A"	874	821	0.05
37	A"	782	734	5.61
38	A"	635	596	1.15
39	A"	309	290	1.46
40	A"	230	215	0.99
41	A"	149	140	0.58
42	A"	102	96	0.13

Atom	x (Å)	y (Å)	z (Å)
H1	-0.070	3.969	0.000
H2	1.407	2.859	0.000
C3	0.325	2.959	0.000
H4	-1.561	2.027	0.000
C5	-0.480	1.887	0.000
H6	1.081	0.370	0.000
C7	0.000	0.505	0.000
H8	-1.895	-0.381	0.000
C9	-0.818	-0.558	0.000
H10	-0.860	-2.497	0.873
H11	-0.860	-2.497	-0.873
C12	-0.407	-2.007	0.000
H13	1.304	-3.336	0.000
H14	1.573	-1.828	-0.886
H15	1.573	-1.828	0.886
C16	1.099	-2.262	0.000

	H1	H2	C3	H4	C5	H6	C7	H8	C9	H10	H11	C12	H13	H14	H15	C16
H1		1.8474	1.0849	2.4490	2.1223	3.7790	3.4655	4.7179	4.5892	6.5730	6.5730	5.9856	7.4335	6.0901	6.0901	6.3395
H2	1.8474		1.0870	3.0825	2.1226	2.5107	2.7429	4.6264	4.0781	5.8816	5.8816	5.1930	6.1961	4.7726	4.7726	5.1299
C3	1.0849	1.0870		2.1032	1.3399	2.6971	2.4754	4.0101	3.6980	5.6508	5.6508	5.0189	6.3705	5.0252	5.0252	5.2773
H4	2.4490	3.0825	2.1032		1.0901	3.1185	2.1805	2.4310	2.6899	4.6606	4.6606	4.1955	6.0804	5.0464	5.0464	5.0465
C5	2.1223	2.1226	1.3399	1.0901		2.1767	1.4635	2.6735	2.4687	4.4865	4.4865	3.8945	5.5195	4.3358	4.3358	4.4389
H6	3.7790	2.5107	2.6971	3.1185	2.1767		1.0890	3.0692	2.1136	3.5705	3.5705	2.8036	3.7125	2.4198	2.4198	2.6313
C7	3.4655	2.7429	2.4754	2.1805	1.4635	1.0890		2.0920	1.3414	3.2423	3.2423	2.5440	4.0560	2.9494	2.9494	2.9764
H8	4.7179	4.6264	4.0101	2.4310	2.6735	3.0692	2.0920		1.0915	2.5123	2.5123	2.2041	4.3554	3.8611	3.8611	3.5359
C9	4.5892	4.0781	3.6980	2.6899	2.4687	2.1136	1.3414	1.0915		2.1267	2.1267	1.5057	3.4959	2.8488	2.8488	2.5646
H10	6.5730	5.8816	5.6508	4.6606	4.4865	3.5705	3.2423	2.5123	2.1267		1.7456	1.0990	2.4799	3.0762	2.5240	2.1578
H11	6.5730	5.8816	5.6508	4.6606	4.4865	3.5705	3.2423	2.5123	2.1267	1.7456		1.0990	2.4799	2.5240	3.0762	2.1578
C12	5.9856	5.1930	5.0189	4.1955	3.8945	2.8036	2.5440	2.2041	1.5057	1.0990	1.0990		2.1669	2.1767	2.1767	1.5274
H13	7.4335	6.1961	6.3705	6.0804	5.5195	3.7125	4.0560	4.3554	3.4959	2.4799	2.4799	2.1669		1.7698	1.7698	1.0940
H14	6.0901	4.7726	5.0252	5.0464	4.3358	2.4198	2.9494	3.8611	2.8488	3.0762	2.5240	2.1767	1.7698		1.7714	1.0943
H15	6.0901	4.7726	5.0252	5.0464	4.3358	2.4198	2.9494	3.8611	2.8488	2.5240	3.0762	2.1767	1.7698	1.7714		1.0943
C16	6.3395	5.1299	5.2773	5.0465	4.4389	2.6313	2.9764	3.5359	2.5646	2.1578	2.1578	1.5274	1.0940	1.0943	1.0943

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C3	H2	116.554	H1	C3	C5	121.798
H2	C3	C5	121.648	C3	C5	H4	119.528
C3	C5	C7	123.954	H4	C5	C7	116.519
C5	C7	H6	116.260	C5	C7	C9	123.258
H6	C7	C9	120.482	C7	C9	H8	118.245
C7	C9	C12	126.550	H8	C9	C12	115.205
C9	C12	H10	108.462	C9	C12	H11	108.462
C9	C12	C16	115.458	H10	C12	H11	105.154
H10	C12	C16	109.402	H11	C12	C16	109.402
C12	C16	H13	110.410	C12	C16	H14	111.170
C12	C16	H15	111.170	H13	C16	H14	107.950
H13	C16	H15	107.950	H14	C16	H15	108.062

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

using model chemistry: MP3/6-31G*

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: MP3/6-31G*

States and conformations

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