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	hartrees
Energy at 0K	-233.909776
Energy at 298.15K	-233.919562
HF Energy	-233.040881
Nuclear repulsion energy	216.316538

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3281	3118	15.63
2	A'	3255	3093	1.83
3	A'	3177	3018	9.49
4	A'	3173	3015	25.88
5	A'	3163	3005	35.71
6	A'	3150	2993	2.67
7	A'	3079	2926	17.75
8	A'	3051	2899	26.52
9	A'	1715	1630	4.62
10	A'	1642	1560	1.12
11	A'	1536	1459	6.49
12	A'	1492	1418	5.40
13	A'	1478	1404	12.12
14	A'	1432	1361	3.78
15	A'	1404	1334	3.41
16	A'	1398	1329	2.37
17	A'	1325	1259	0.30
18	A'	1306	1241	6.29
19	A'	1187	1128	0.76
20	A'	1090	1036	3.31
21	A'	1062	1009	1.50
22	A'	943	896	2.40
23	A'	826	785	3.46
24	A'	716	681	1.76
25	A'	422	401	0.36
26	A'	274	260	1.76
27	A'	196	187	0.32
28	A"	3177	3019	23.73
29	A"	3086	2933	15.18
30	A"	1525	1449	7.05
31	A"	1317	1252	0.41
32	A"	1117	1062	3.80
33	A"	1019	968	18.92
34	A"	956	908	3.54
35	A"	885	841	33.84
36	A"	826	785	4.05
37	A"	751	714	4.80
38	A"	614	584	26.54
39	A"	389	370	0.12
40	A"	299	284	0.03
41	A"	94	90	0.30
42	A"	59	56	0.15

Atom	x (Å)	y (Å)	z (Å)
H1	-2.057	1.274	0.000
C2	-1.234	0.558	0.000
H3	0.029	2.202	0.000
C4	0.000	1.111	0.000
H5	1.398	-0.596	0.000
C6	1.320	0.484	0.000
H7	3.430	0.741	0.000
H8	2.422	2.300	0.000
C9	2.454	1.213	0.000
H10	-2.371	-0.988	0.872
H11	-2.371	-0.988	-0.872
C12	-1.713	-0.870	0.000
H13	-1.206	-2.968	0.000
H14	-0.052	-1.967	-0.888
H15	-0.052	-1.967	0.888
C16	-0.688	-2.004	0.000

	H1	C2	H3	C4	H5	C6	H7	H8	C9	H10	H11	C12	H13	H14	H15	C16
H1		1.0910	2.2832	2.0638	3.9290	3.4689	5.5132	4.5951	4.5113	2.4452	2.4452	2.1723	4.3264	3.9136	3.9136	3.5527
C2	1.0910		2.0728	1.3523	2.8741	2.5556	4.6676	4.0495	3.7454	2.1086	2.1086	1.5069	3.5261	2.9263	2.9263	2.6198
H3	2.2832	2.0728		1.0909	3.1147	2.1488	3.7015	2.3948	2.6183	4.0865	4.0865	3.5317	5.3149	4.2631	4.2631	4.2665
C4	2.0638	1.3523	1.0909		2.2065	1.4616	3.4499	2.6977	2.4557	3.2852	3.2852	2.6194	4.2535	3.2042	3.2042	3.1903
H5	3.9290	2.8741	3.1147	2.2065		1.0830	2.4320	3.0713	2.0945	3.8887	3.8887	3.1230	3.5225	2.1842	2.1842	2.5170
C6	3.4689	2.5556	2.1488	1.4616	1.0830		2.1250	2.1234	1.3473	4.0692	4.0692	3.3221	4.2779	2.9463	2.9463	3.1979
H7	5.5132	4.6676	3.7015	3.4499	2.4320	2.1250		1.8567	1.0848	6.1159	6.1159	5.3892	5.9368	4.4992	4.4992	4.9489
H8	4.5951	4.0495	2.3948	2.6977	3.0713	2.1234	1.8567		1.0869	5.8776	5.8776	5.2102	6.3960	5.0113	5.0113	5.3098
C9	4.5113	3.7454	2.6183	2.4557	2.0945	1.3473	1.0848	1.0869		5.3747	5.3747	4.6585	5.5565	4.1449	4.1449	4.4968
H10	2.4452	2.1086	4.0865	3.2852	3.8887	4.0692	6.1159	5.8776	5.3747		1.7438	1.0989	2.4565	3.0713	2.5174	2.1504
H11	2.4452	2.1086	4.0865	3.2852	3.8887	4.0692	6.1159	5.8776	5.3747	1.7438		1.0989	2.4565	2.5174	3.0713	2.1504
C12	2.1723	1.5069	3.5317	2.6194	3.1230	3.3221	5.3892	5.2102	4.6585	1.0989	1.0989		2.1574	2.1793	2.1793	1.5279
H13	4.3264	3.5261	5.3149	4.2535	3.5225	4.2779	5.9368	6.3960	5.5565	2.4565	2.4565	2.1574		1.7668	1.7668	1.0941
H14	3.9136	2.9263	4.2631	3.2042	2.1842	2.9463	4.4992	5.0113	4.1449	3.0713	2.5174	2.1793	1.7668		1.7754	1.0928
H15	3.9136	2.9263	4.2631	3.2042	2.1842	2.9463	4.4992	5.0113	4.1449	2.5174	3.0713	2.1793	1.7668	1.7754		1.0928
C16	3.5527	2.6198	4.2665	3.1903	2.5170	3.1979	4.9489	5.3098	4.4968	2.1504	2.1504	1.5279	1.0941	1.0928	1.0928

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C2	C4	114.855	H1	C2	C12	112.488
C2	C4	H3	115.656	C2	C4	C6	130.470
C2	C12	H10	106.987	C2	C12	H11	106.987
C2	C12	C16	119.361	H3	C4	C6	113.874
C4	C2	C12	132.658	C4	C6	H5	119.510
C4	C6	C9	121.852	H5	C6	C9	118.638
C6	C9	H7	121.416	C6	C9	H8	121.079
H7	C9	H8	117.505	H10	C12	H11	105.009
H10	C12	C16	108.794	H11	C12	C16	108.794
C12	C16	H13	109.620	C12	C16	H14	111.433
C12	C16	H15	111.433	H13	C16	H14	107.785
H13	C16	H15	107.785	H14	C16	H15	108.646

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

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 (1,3-Hexadiene, (Z)-)

using model chemistry: MP2/6-311G**

States and conformations

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