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	hartrees
Energy at 0K	-233.836578
Energy at 298.15K	-233.846189
HF Energy	-233.026933
Nuclear repulsion energy	214.666877

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3282	3118	14.02
2	A	3189	3030	10.20
3	A	3175	3017	43.83
4	A	3173	3015	21.58
5	A	3164	3007	7.09
6	A	3159	3002	2.78
7	A	3141	2985	18.56
8	A	3098	2944	14.17
9	A	3068	2915	26.50
10	A	3054	2903	25.38
11	A	1734	1648	0.95
12	A	1699	1615	8.66
13	A	1534	1458	12.58
14	A	1518	1443	7.90
15	A	1511	1436	12.39
16	A	1459	1386	4.63
17	A	1450	1378	4.77
18	A	1387	1318	0.70
19	A	1351	1284	0.77
20	A	1337	1270	1.67
21	A	1333	1267	0.84
22	A	1244	1182	1.06
23	A	1152	1095	3.21
24	A	1133	1077	4.91
25	A	1081	1027	0.45
26	A	1065	1012	4.45
27	A	1026	975	19.05
28	A	991	942	42.14
29	A	977	928	6.29
30	A	939	892	1.61
31	A	900	856	15.05
32	A	897	853	23.80
33	A	773	735	0.24
34	A	604	574	5.74
35	A	544	517	8.96
36	A	471	447	0.35
37	A	323	307	0.55
38	A	285	271	1.51
39	A	201	191	1.07
40	A	156	148	0.58
41	A	129	122	0.06
42	A	75	71	0.28

Atom	x (Å)	y (Å)	z (Å)
C1	2.749	0.465	0.029
H2	2.985	1.264	-0.682
H3	2.672	0.907	1.025
H4	3.600	-0.224	0.026
C5	1.482	-0.241	-0.353
H6	1.465	-0.710	-1.339
C7	0.393	-0.333	0.424
H8	0.399	0.141	1.407
C9	-0.867	-1.051	0.043
H10	-0.723	-1.576	-0.911
H11	-1.078	-1.834	0.784
C12	-2.077	-0.156	-0.064
H13	-3.035	-0.669	-0.148
C14	-2.049	1.183	-0.077
H15	-2.962	1.763	-0.162
H16	-1.117	1.734	-0.009

	C1	H2	H3	H4	C5	H6	C7	H8	C9	H10	H11	C12	H13	C14	H15	H16
C1		1.0947	1.0926	1.0947	1.4999	2.2139	2.5187	2.7440	3.9209	4.1360	4.5283	4.8670	5.8976	4.8532	5.8601	4.0692
H2	1.0947		1.7717	1.7590	2.1514	2.5763	3.2382	3.5086	4.5512	4.6756	5.3151	5.2931	6.3452	5.0708	5.9901	4.1826
H3	1.0926	1.7717		1.7713	2.1524	3.1081	2.6632	2.4290	4.1618	4.6304	4.6514	4.9869	6.0363	4.8562	5.8214	4.0138
H4	1.0947	1.7590	1.7713		2.1513	2.5804	3.2330	3.5053	4.5424	4.6253	5.0049	5.6779	6.6525	5.8226	6.8587	5.1071
C5	1.4999	2.1514	2.1524	2.1513		1.0916	1.3409	2.1021	2.5160	2.6376	3.2229	3.5720	4.5427	3.8177	4.8789	3.2824
H6	2.2139	2.5763	3.1081	2.5804	1.0916		2.0966	3.0660	2.7310	2.3912	3.4978	3.8046	4.6551	4.1859	5.2050	3.7953
C7	2.5187	3.2382	2.6632	3.2330	1.3409	2.0966		1.0920	1.4992	2.1384	2.1327	2.5239	3.4922	2.9176	3.9989	2.5960
H8	2.7440	3.5086	2.4290	3.5053	2.1021	3.0660	1.0920		2.2101	3.0956	2.5440	2.8951	3.8562	3.0463	4.0482	2.6154
C9	3.9209	4.5512	4.1618	4.5424	2.5160	2.7310	1.4992	2.2101		1.0983	1.0992	1.5089	2.2104	2.5299	3.5139	2.7966
H10	4.1360	4.6756	4.6304	4.6253	2.6376	2.3912	2.1384	3.0956	1.0983		1.7514	2.1371	2.5985	3.1723	4.0888	3.4531
H11	4.5283	5.3151	4.6514	5.0049	3.2229	3.4978	2.1327	2.5440	1.0992	1.7514		2.1290	2.4613	3.2839	4.1691	3.6556
C12	4.8670	5.2931	4.9869	5.6779	3.5720	3.8046	2.5239	2.8951	1.5089	2.1371	2.1290		1.0905	1.3388	2.1152	2.1207
H13	5.8976	6.3452	6.0363	6.6525	4.5427	4.6551	3.4922	3.8562	2.2104	2.5985	2.4613	1.0905		2.0989	2.4327	3.0783
C14	4.8532	5.0708	4.8562	5.8226	3.8177	4.1859	2.9176	3.0463	2.5299	3.1723	3.2839	1.3388	2.0989		1.0849	1.0856
H15	5.8601	5.9901	5.8214	6.8587	4.8789	5.2050	3.9989	4.0482	3.5139	4.0888	4.1691	2.1152	2.4327	1.0849		1.8519
H16	4.0692	4.1826	4.0138	5.1071	3.2824	3.7953	2.5960	2.6154	2.7966	3.4531	3.6556	2.1207	3.0783	1.0856	1.8519

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C5	H6	116.481	C1	C5	C7	124.815
H2	C1	H3	108.194	H2	C1	H4	106.915
H2	C1	C5	111.077	H3	C1	H4	108.147
H3	C1	C5	111.275	H4	C1	C5	111.062
C5	C7	H8	119.197	C5	C7	C9	124.626
H6	C5	C7	118.704	C7	C9	H10	109.861
C7	C9	H11	109.364	C7	C9	C12	114.077
H8	C7	C9	116.177	C9	C12	H13	115.568
C9	C12	C14	125.238	H10	C9	H11	105.688
H10	C9	C12	109.093	H11	C9	C12	108.412
C12	C14	H15	121.194	C12	C14	H16	121.676
H13	C12	C14	119.190	H15	C14	H16	117.128

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

using model chemistry: MP2/6-311G*

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: MP2/6-311G*

States and conformations

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