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	hartrees
Energy at 0K	-233.946891
Energy at 298.15K	-233.956686
HF Energy	-233.025073
Nuclear repulsion energy	216.357216

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3284	3110	17.22
2	A'	3261	3088	1.04
3	A'	3180	3012	8.54
4	A'	3176	3008	28.69
5	A'	3168	3000	35.43
6	A'	3152	2986	3.21
7	A'	3086	2923	18.21
8	A'	3056	2895	25.63
9	A'	1725	1634	4.85
10	A'	1652	1565	1.06
11	A'	1555	1473	9.79
12	A'	1513	1433	6.78
13	A'	1493	1414	13.37
14	A'	1451	1374	5.96
15	A'	1420	1345	5.03
16	A'	1415	1340	0.16
17	A'	1344	1273	0.50
18	A'	1326	1255	6.30
19	A'	1197	1134	0.66
20	A'	1100	1042	4.54
21	A'	1068	1012	1.77
22	A'	951	901	3.00
23	A'	830	786	3.93
24	A'	722	684	1.75
25	A'	427	405	0.33
26	A'	278	263	2.09
27	A'	199	189	0.34
28	A"	3186	3017	23.43
29	A"	3090	2927	15.27
30	A"	1547	1465	9.76
31	A"	1333	1262	0.29
32	A"	1128	1068	3.85
33	A"	1012	959	21.28
34	A"	953	903	3.30
35	A"	884	837	43.80
36	A"	832	788	3.70
37	A"	758	718	5.15
38	A"	616	583	33.10
39	A"	392	372	0.20
40	A"	305	289	0.06
41	A"	92	87	0.35
42	A"	55	52	0.14

Atom	x (Å)	y (Å)	z (Å)
H1	-2.056	1.268	0.000
C2	-1.231	0.554	0.000
H3	0.024	2.201	0.000
C4	0.000	1.111	0.000
H5	1.405	-0.589	0.000
C6	1.322	0.490	0.000
H7	3.430	0.752	0.000
H8	2.425	2.307	0.000
C9	2.452	1.221	0.000
H10	-2.371	-0.989	0.869
H11	-2.371	-0.989	-0.869
C12	-1.710	-0.873	0.000
H13	-1.214	-2.969	0.000
H14	-0.057	-1.980	-0.887
H15	-0.057	-1.980	0.887
C16	-0.692	-2.008	0.000

	H1	C2	H3	C4	H5	C6	H7	H8	C9	H10	H11	C12	H13	H14	H15	C16
H1		1.0911	2.2799	2.0620	3.9280	3.4661	5.5102	4.5999	4.5087	2.4395	2.4395	2.1685	4.3199	3.9157	3.9157	3.5488
C2	1.0911		2.0712	1.3512	2.8735	2.5537	4.6654	4.0547	3.7435	2.1064	2.1064	1.5048	3.5228	2.9301	2.9301	2.6182
H3	2.2799	2.0712		1.0909	3.1135	2.1473	3.7015	2.4032	2.6188	4.0834	4.0834	3.5294	5.3162	4.2749	4.2749	4.2700
C4	2.0620	1.3512	1.0909		2.2055	1.4600	3.4487	2.7040	2.4549	3.2847	3.2847	2.6188	4.2562	3.2158	3.2158	3.1948
H5	3.9280	2.8735	3.1135	2.2055		1.0828	2.4286	3.0704	2.0912	3.8957	3.8957	3.1280	3.5382	2.2039	2.2039	2.5322
C6	3.4661	2.5537	2.1473	1.4600	1.0828		2.1245	2.1254	1.3462	4.0723	4.0723	3.3240	4.2886	2.9645	2.9645	3.2091
H7	5.5102	4.6654	3.7015	3.4487	2.4286	2.1245		1.8516	1.0843	6.1190	6.1190	5.3906	5.9500	4.5172	4.5172	4.9608
H8	4.5999	4.0547	2.4032	2.7040	3.0704	2.1254	1.8516		1.0864	5.8844	5.8844	5.2162	6.4087	5.0321	5.0321	5.3232
C9	4.5087	3.7435	2.6188	2.4549	2.0912	1.3462	1.0843	1.0864		5.3768	5.3768	4.6593	5.5670	4.1626	4.1626	4.5073
H10	2.4395	2.1064	4.0834	3.2847	3.8957	4.0723	6.1190	5.8844	5.3768		1.7377	1.0981	2.4523	3.0693	2.5176	2.1476
H11	2.4395	2.1064	4.0834	3.2847	3.8957	4.0723	6.1190	5.8844	5.3768	1.7377		1.0981	2.4523	2.5176	3.0693	2.1476
C12	2.1685	1.5048	3.5294	2.6188	3.1280	3.3240	5.3906	5.2162	4.6593	1.0981	1.0981		2.1542	2.1784	2.1784	1.5249
H13	4.3199	3.5228	5.3162	4.2562	3.5382	4.2886	5.9500	6.4087	5.5670	2.4523	2.4523	2.1542		1.7613	1.7613	1.0929
H14	3.9157	2.9301	4.2749	3.2158	2.2039	2.9645	4.5172	5.0321	4.1626	3.0693	2.5176	2.1784	1.7613		1.7735	1.0913
H15	3.9157	2.9301	4.2749	3.2158	2.2039	2.9645	4.5172	5.0321	4.1626	2.5176	3.0693	2.1784	1.7613	1.7735		1.0913
C16	3.5488	2.6182	4.2700	3.1948	2.5322	3.2091	4.9608	5.3232	4.5073	2.1476	2.1476	1.5249	1.0929	1.0913	1.0913

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C2	C4	114.776	H1	C2	C12	112.334
C2	C4	H3	115.602	C2	C4	C6	130.521
C2	C12	H10	107.007	C2	C12	H11	107.007
C2	C12	C16	119.572	H3	C4	C6	113.877
C4	C2	C12	132.890	C4	C6	H5	119.563
C4	C6	C9	121.993	H5	C6	C9	118.444
C6	C9	H7	121.498	C6	C9	H8	121.417
H7	C9	H8	117.085	H10	C12	H11	104.599
H10	C12	C16	108.829	H11	C12	C16	108.829
C12	C16	H13	109.650	C12	C16	H14	111.675
C12	C16	H15	111.675	H13	C16	H14	107.485
H13	C16	H15	107.485	H14	C16	H15	108.695

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

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

States and conformations

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