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	hartrees
Energy at 0K	-233.427872
Energy at 298.15K	-233.437344
HF Energy	-232.912204
Nuclear repulsion energy	210.719444

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3255	3135	33.27
2	A	3156	3040	22.94
3	A	3141	3025	75.78
4	A	3136	3020	28.05
5	A	3133	3017	0.91
6	A	3114	3000	14.49
7	A	3099	2985	33.48
8	A	3058	2945	25.26
9	A	3011	2899	34.83
10	A	3008	2897	41.12
11	A	1685	1623	0.60
12	A	1655	1594	9.52
13	A	1540	1484	11.34
14	A	1519	1463	6.93
15	A	1515	1459	14.18
16	A	1475	1421	2.60
17	A	1463	1409	6.67
18	A	1389	1337	1.35
19	A	1353	1303	0.63
20	A	1340	1290	0.91
21	A	1334	1285	1.01
22	A	1244	1198	0.92
23	A	1152	1109	5.02
24	A	1125	1084	3.98
25	A	1095	1055	0.20
26	A	1050	1012	6.13
27	A	1022	984	17.89
28	A	996	959	45.01
29	A	989	952	16.52
30	A	912	878	2.31
31	A	890	857	0.66
32	A	852	821	49.29
33	A	771	742	0.24
34	A	594	572	6.15
35	A	547	527	10.21
36	A	459	443	0.42
37	A	313	301	0.77
38	A	277	267	1.62
39	A	195	188	1.23
40	A	150	144	0.48
41	A	121	117	0.14
42	A	61	59	0.30

Atom	x (Å)	y (Å)	z (Å)
C1	2.795	0.475	0.026
H2	3.000	1.338	-0.635
H3	2.737	0.842	1.067
H4	3.656	-0.214	-0.050
C5	1.493	-0.225	-0.373
H6	1.441	-0.626	-1.397
C7	0.407	-0.380	0.446
H8	0.448	0.022	1.469
C9	-0.890	-1.084	0.036
H10	-0.735	-1.600	-0.934
H11	-1.129	-1.871	0.781
C12	-2.109	-0.146	-0.083
H13	-3.081	-0.643	-0.215
C14	-2.067	1.222	-0.052
H15	-2.981	1.817	-0.149
H16	-1.126	1.766	0.064

	C1	H2	H3	H4	C5	H6	C7	H8	C9	H10	H11	C12	H13	C14	H15	H16
C1		1.1062	1.1049	1.1060	1.5313	2.2514	2.5713	2.7916	4.0015	4.2053	4.6334	4.9439	5.9857	4.9197	5.9319	4.1280
H2	1.1062		1.7920	1.7838	2.1870	2.6204	3.2934	3.5594	4.6316	4.7611	5.4174	5.3483	6.4088	5.1020	6.0195	4.2065
H3	1.1049	1.7920		1.7915	2.1817	3.1466	2.7034	2.4638	4.2340	4.6919	4.7309	5.0768	6.1390	4.9470	5.9260	4.0962
H4	1.1060	1.7838	1.7915		2.1872	2.6244	3.2915	3.5575	4.6299	4.6883	5.1316	5.7655	6.7524	5.9010	6.9415	5.1773
C5	1.5313	2.1870	2.1817	2.1872		1.1002	1.3695	2.1324	2.5663	2.6769	3.3038	3.6143	4.5953	3.8567	4.9229	3.3192
H6	2.2514	2.6204	3.1466	2.6244	1.1002		2.1276	3.1014	2.7750	2.4287	3.5916	3.8158	4.6739	4.1876	5.2037	3.8012
C7	2.5713	3.2934	2.7034	3.2915	1.3695	2.1276		1.1001	1.5314	2.1663	2.1659	2.5811	3.5590	2.9894	4.0812	2.6652
H8	2.7916	3.5594	2.4638	3.5575	2.1324	3.1014	1.1001		2.2512	3.1308	2.5578	2.9958	3.9662	3.1751	4.1950	2.7376
C9	4.0015	4.6316	4.2340	4.6299	2.5663	2.7750	1.5314	2.2512		1.1094	1.1092	1.5427	2.2484	2.5909	3.5806	2.8606
H10	4.2053	4.7611	4.6919	4.6883	2.6769	2.4287	2.1663	3.1308	1.1094		1.7802	2.1742	2.6335	3.2432	4.1635	3.5330
H11	4.6334	5.4174	4.7309	5.1316	3.3038	3.5916	2.1659	2.5578	1.1092	1.7802		2.1639	2.5117	3.3377	4.2299	3.7072
C12	4.9439	5.3483	5.0768	5.7655	3.6143	3.8158	2.5811	2.9958	1.5427	2.1742	2.1639		1.0997	1.3688	2.1484	2.1549
H13	5.9857	6.4088	6.1390	6.7524	4.5953	4.6739	3.5590	3.9662	2.2484	2.6335	2.5117	1.0997		2.1289	2.4626	3.1152
C14	4.9197	5.1020	4.9470	5.9010	3.8567	4.1876	2.9894	3.1751	2.5909	3.2432	3.3377	1.3688	2.1289		1.0943	1.0936
H15	5.9319	6.0195	5.9260	6.9415	4.9229	5.2037	4.0812	4.1950	3.5806	4.1635	4.2299	2.1484	2.4626	1.0943		1.8679
H16	4.1280	4.2065	4.0962	5.1773	3.3192	3.8012	2.6652	2.7376	2.8606	3.5330	3.7072	2.1549	3.1152	1.0936	1.8679

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C5	H6	116.690	C1	C5	C7	124.751
H2	C1	H3	108.285	H2	C1	H4	107.478
H2	C1	C5	111.009	H3	C1	H4	108.253
H3	C1	C5	110.660	H4	C1	C5	111.033
C5	C7	H8	119.008	C5	C7	C9	124.319
H6	C5	C7	118.559	C7	C9	H10	109.187
C7	C9	H11	109.172	C7	C9	C12	114.196
H8	C7	C9	116.673	C9	C12	H13	115.598
C9	C12	C14	125.616	H10	C9	H11	106.722
H10	C9	C12	109.035	H11	C9	C12	108.262
C12	C14	H15	121.036	C12	C14	H16	121.723
H13	C12	C14	118.781	H15	C14	H16	117.240

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

using model chemistry: MP2/LANL2DZ

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/LANL2DZ

States and conformations

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