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	hartrees
Energy at 0K	-39.422009
Energy at 298.15K	-39.431371
HF Energy	-38.698920
Nuclear repulsion energy	113.780296

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3213	3051	42.91
2	A'	3201	3039	23.83
3	A'	3193	3031	14.38
4	A'	3187	3025	38.49
5	A'	3174	3014	2.83
6	A'	3164	3004	0.56
7	A'	3082	2926	32.88
8	A'	3074	2919	40.40
9	A'	1737	1650	2.57
10	A'	1679	1594	1.73
11	A'	1521	1444	9.70
12	A'	1517	1440	14.36
13	A'	1459	1385	6.59
14	A'	1444	1371	2.40
15	A'	1425	1353	2.41
16	A'	1342	1274	1.25
17	A'	1315	1248	2.37
18	A'	1272	1207	0.86
19	A'	1198	1137	0.36
20	A'	1129	1072	0.16
21	A'	1064	1010	0.23
22	A'	947	899	24.66
23	A'	943	895	2.22
24	A'	590	560	5.10
25	A'	462	438	0.18
26	A'	320	304	1.53
27	A'	152	144	0.47
28	A"	3158	2998	30.91
29	A"	3156	2997	25.69
30	A"	1506	1430	9.65
31	A"	1501	1425	8.16
32	A"	1077	1023	0.30
33	A"	1071	1017	6.23
34	A"	1028	976	62.00
35	A"	953	905	2.74
36	A"	848	805	20.73
37	A"	737	700	31.36
38	A"	424	402	6.08
39	A"	209	198	0.09
40	A"	194	184	1.84
41	A"	115	109	0.22
42	A"	98	93	1.01

Atom	x (Å)	y (Å)	z (Å)
C1	0.391	2.981	0.000
H2	1.460	2.704	0.000
H3	0.192	3.606	0.891
H4	0.192	3.606	-0.891
C5	0.947	-2.560	0.000
H6	1.686	-1.744	0.000
H7	1.130	-3.191	-0.890
H8	1.130	-3.191	0.890
C9	-0.485	-2.048	0.000
H10	-1.272	-2.814	0.000
C11	-0.885	-0.729	0.000
H12	-1.963	-0.519	0.000
C13	0.000	0.453	0.000
H14	1.087	0.304	0.000
C15	-0.485	1.741	0.000
H16	-1.575	1.891	0.000

	C1	H2	H3	H4	C5	H6	H7	H8	C9	H10	C11	H12	C13	H14	C15	H16
C1		1.1038	1.1064	1.1064	5.5686	4.8990	6.2793	6.2793	5.1041	6.0291	3.9232	4.2179	2.5576	2.7656	1.5185	2.2480
H2	1.1038		1.7928	1.7928	5.2893	4.4542	5.9714	5.9714	5.1345	6.1580	4.1577	4.7018	2.6831	2.4292	2.1707	3.1418
H3	1.1064	1.7928		1.7812	6.2759	5.6260	7.0891	6.8618	5.7635	6.6455	4.5551	4.7387	3.2820	3.5354	2.1754	2.6187
H4	1.1064	1.7928	1.7812		6.2759	5.6260	6.8618	7.0891	5.7635	6.6455	4.5551	4.7387	3.2820	3.5354	2.1754	2.6187
C5	5.5686	5.2893	6.2759	6.2759		1.1009	1.1065	1.1065	1.5209	2.2335	2.5900	3.5549	3.1586	2.8675	4.5329	5.1156
H6	4.8990	4.4542	5.6260	5.6260	1.1009		1.7876	1.7876	2.1921	3.1457	2.7640	3.8496	2.7697	2.1340	4.1058	4.8832
H7	6.2793	5.9714	7.0891	6.8618	1.1065	1.7876		1.7804	2.1699	2.5893	3.3036	4.1837	3.9180	3.6070	5.2654	5.8253
H8	6.2793	5.9714	6.8618	7.0891	1.1065	1.7876	1.7804		2.1699	2.5893	3.3036	4.1837	3.9180	3.6070	5.2654	5.8253
C9	5.1041	5.1345	5.7635	5.7635	1.5209	2.1921	2.1699	2.1699		1.0988	1.3778	2.1267	2.5474	2.8284	3.7883	4.0864
H10	6.0291	6.1580	6.6455	6.6455	2.2335	3.1457	2.5893	2.5893	1.0988		2.1210	2.3975	3.5065	3.9100	4.6226	4.7150
C11	3.9232	4.1577	4.5551	4.5551	2.5900	2.7640	3.3036	3.3036	1.3778	2.1210		1.0989	1.4768	2.2258	2.5020	2.7092
H12	4.2179	4.7018	4.7387	4.7387	3.5549	3.8496	4.1837	4.1837	2.1267	2.3975	1.0989		2.1908	3.1591	2.7000	2.4407
C13	2.5576	2.6831	3.2820	3.2820	3.1586	2.7697	3.9180	3.9180	2.5474	3.5065	1.4768	2.1908		1.0969	1.3758	2.1322
H14	2.7656	2.4292	3.5354	3.5354	2.8675	2.1340	3.6070	3.6070	2.8284	3.9100	2.2258	3.1591	1.0969		2.1295	3.0986
C15	1.5185	2.1707	2.1754	2.1754	4.5329	4.1058	5.2654	5.2654	3.7883	4.6226	2.5020	2.7000	1.3758	2.1295		1.0999
H16	2.2480	3.1418	2.6187	2.6187	5.1156	4.8832	5.8253	5.8253	4.0864	4.7150	2.7092	2.4407	2.1322	3.0986	1.0999

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C15	C13	124.099	C1	C15	H16	117.410
H2	C1	H3	108.418	H2	C1	H4	108.418
H2	C1	C15	110.753	H3	C1	H4	107.205
H3	C1	C15	110.962	H4	C1	C15	110.962
C5	C9	H10	116.052	C5	C9	C11	126.561
H6	C5	H7	108.159	H6	C5	H8	108.159
H6	C5	C9	112.477	H7	C5	H8	107.136
H7	C5	C9	110.363	H8	C5	C9	110.363
C9	C11	H12	117.908	C9	C11	C13	126.321
H10	C9	C11	117.387	C11	C13	H14	118.988
C11	C13	C15	122.544	H12	C11	C13	115.771
C13	C15	H16	118.490	H14	C13	C15	118.468

All results from a given calculation for C₆H₁₀ (2,4-Hexadiene, (E,Z)-)

using model chemistry: MP2/CEP-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 (2,4-Hexadiene, (E,Z)-)

using model chemistry: MP2/CEP-31G*

States and conformations

All results from a given calculation for C₆H₁₀ (2,4-Hexadiene, (E,Z)-)