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	hartrees
Energy at 0K	-233.434570
Energy at 298.15K	-233.443693
HF Energy	-232.919901
Nuclear repulsion energy	209.267084

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3177	3060	120.72
2	A'	3168	3052	0.00
3	A'	3147	3031	0.00
4	A'	3138	3022	46.37
5	A'	3134	3018	3.53
6	A'	3126	3011	0.00
7	A'	3017	2905	0.01
8	A'	3017	2905	71.88
9	A'	1684	1622	0.00
10	A'	1621	1561	7.75
11	A'	1538	1481	0.00
12	A'	1533	1477	22.22
13	A'	1478	1423	0.00
14	A'	1467	1413	18.72
15	A'	1462	1408	0.00
16	A'	1401	1349	0.79
17	A'	1328	1279	0.00
18	A'	1290	1243	1.93
19	A'	1183	1140	0.00
20	A'	1103	1062	2.00
21	A'	1021	983	0.00
22	A'	928	894	22.97
23	A'	902	868	0.00
24	A'	634	611	0.00
25	A'	521	501	11.05
26	A'	272	262	0.00
27	A'	189	182	0.18
28	A"	3095	2981	64.16
29	A"	3095	2981	0.65
30	A"	1524	1468	17.92
31	A"	1523	1467	0.00
32	A"	1089	1049	0.00
33	A"	1089	1049	1.66
34	A"	930	896	0.03
35	A"	908	875	0.00
36	A"	763	735	0.00
37	A"	670	645	101.07
38	A"	450	433	0.00
39	A"	296	285	0.10
40	A"	84	81	0.00
41	A"	75	73	0.98
42	A"	39	38	0.14

Atom	x (Å)	y (Å)	z (Å)
H1	0.945	-2.642	0.000
C2	1.113	-1.556	0.000
H3	-0.978	-1.241	0.000
C4	0.000	-0.744	0.000
H5	0.978	1.241	0.000
C6	0.000	0.743	0.000
H7	-0.945	2.642	0.000
C8	-1.113	1.556	0.000
H9	-2.695	0.024	0.000
H10	-3.102	1.518	0.891
H11	-3.102	1.518	-0.891
C12	-2.582	1.120	0.000
H13	2.695	-0.024	0.000
H14	3.102	-1.518	0.891
H15	3.102	-1.518	-0.891
C16	2.582	-1.120	0.000

	H1	C2	H3	C4	H5	C6	H7	C8	H9	H10	H11	C12	H13	H14	H15	C16
H1		1.0991	2.3792	2.1208	3.8831	3.5150	5.6120	4.6751	4.5118	5.8722	5.8722	5.1568	3.1487	2.5906	2.5906	2.2349
C2	1.0991		2.1140	1.3776	2.8000	2.5544	4.6751	3.8256	4.1222	5.2924	5.2924	4.5618	2.2020	2.1805	2.1805	1.5323
H3	2.3792	2.1140		1.0970	3.1596	2.2122	3.8831	2.8000	2.1327	3.5945	3.5945	2.8543	3.8687	4.1855	4.1855	3.5616
C4	2.1208	1.3776	1.0970		2.2122	1.4870	3.5150	2.5544	2.8019	3.9413	3.9413	3.1841	2.7890	3.3194	3.3194	2.6090
H5	3.8831	2.8000	3.1596	2.2122		1.0970	2.3792	2.1140	3.8688	4.1855	4.1855	3.5616	2.1326	3.5944	3.5944	2.8543
C6	3.5150	2.5544	2.2122	1.4870	1.0970		2.1208	1.3776	2.7890	3.3194	3.3194	2.6090	2.8019	3.9413	3.9413	3.1841
H7	5.6120	4.6751	3.8831	3.5150	2.3792	2.1208		1.0991	3.1487	2.5906	2.5906	2.2349	4.5118	5.8722	5.8722	5.1568
C8	4.6751	3.8256	2.8000	2.5544	2.1140	1.3776	1.0991		2.2020	2.1805	2.1805	1.5323	4.1222	5.2924	5.2924	4.5617
H9	4.5118	4.1222	2.1327	2.8019	3.8688	2.7890	3.1487	2.2020		1.7868	1.7868	1.1018	5.3896	6.0645	6.0645	5.3991
H10	5.8722	5.2924	3.5945	3.9413	4.1855	3.3194	2.5906	2.1805	1.7868		1.7828	1.1063	6.0645	6.9076	7.1340	6.3295
H11	5.8722	5.2924	3.5945	3.9413	4.1855	3.3194	2.5906	2.1805	1.7868	1.7828		1.1063	6.0645	7.1340	6.9076	6.3295
C12	5.1568	4.5618	2.8543	3.1841	3.5616	2.6090	2.2349	1.5323	1.1018	1.1063	1.1063		5.3991	6.3295	6.3295	5.6285
H13	3.1487	2.2020	3.8687	2.7890	2.1326	2.8019	4.5118	4.1222	5.3896	6.0645	6.0645	5.3991		1.7868	1.7868	1.1018
H14	2.5906	2.1805	4.1855	3.3194	3.5944	3.9413	5.8722	5.2924	6.0645	6.9076	7.1340	6.3295	1.7868		1.7828	1.1063
H15	2.5906	2.1805	4.1855	3.3194	3.5944	3.9413	5.8722	5.2924	6.0645	7.1340	6.9076	6.3295	1.7868	1.7828		1.1063
C16	2.2349	1.5323	3.5616	2.6090	2.8543	3.1841	5.1568	4.5617	5.3991	6.3295	6.3295	5.6285	1.1018	1.1063	1.1063

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C2	C4	117.362	H1	C2	C16	115.293
C2	C4	H3	116.904	C2	C4	C6	126.137
C2	C16	H13	112.403	C2	C16	H14	110.414
C2	C16	H15	110.414	H3	C4	C6	116.959
C4	C2	C16	127.345	C4	C6	H5	116.958
C4	C6	C8	126.138	H5	C6	C8	116.904
C6	C8	H7	117.362	C6	C8	C12	127.346
H7	C8	C12	115.292	C8	C12	H9	112.404
C8	C12	H10	110.414	C8	C12	H11	110.414
H9	C12	H10	108.037	H9	C12	H11	108.037
H10	C12	H11	107.361	H13	C16	H14	108.036
H13	C16	H15	108.036	H14	C16	H15	107.361

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

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 (2,4-Hexadiene, (Z,Z)-)

using model chemistry: MP2/LANL2DZ

States and conformations

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