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	hartrees
Energy at 0K	-233.759876
Energy at 298.15K	-233.769166
HF Energy	-232.990566
Nuclear repulsion energy	212.976246

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3236	3051	62.31
2	A'	3228	3044	0.00
3	A'	3218	3035	0.00
4	A'	3212	3029	16.56
5	A'	3199	3016	9.73
6	A'	3193	3011	0.00
7	A'	3099	2923	43.29
8	A'	3099	2923	0.00
9	A'	1749	1649	0.00
10	A'	1690	1594	7.93
11	A'	1556	1467	0.00
12	A'	1553	1464	16.81
13	A'	1509	1423	0.00
14	A'	1479	1394	9.75
15	A'	1467	1384	0.00
16	A'	1410	1329	4.78
17	A'	1342	1265	0.00
18	A'	1304	1230	0.75
19	A'	1206	1137	0.00
20	A'	1123	1059	0.75
21	A'	1040	981	0.00
22	A'	958	904	23.40
23	A'	945	892	0.00
24	A'	644	607	0.00
25	A'	526	496	14.21
26	A'	282	266	0.00
27	A'	194	183	0.20
28	A"	3166	2985	34.57
29	A"	3166	2985	0.05
30	A"	1544	1456	12.53
31	A"	1544	1456	0.00
32	A"	1092	1030	0.00
33	A"	1090	1028	1.01
34	A"	987	931	0.32
35	A"	951	897	0.00
36	A"	795	750	0.00
37	A"	699	659	63.19
38	A"	460	434	0.00
39	A"	302	285	0.01
40	A"	94	88	0.00
41	A"	84	79	0.69
42	A"	47	45	0.15

Atom	x (Å)	y (Å)	z (Å)
H1	0.301	2.743	0.000
C2	-0.318	1.846	0.000
H3	1.406	0.677	0.000
C4	0.318	0.655	0.000
H5	-1.406	-0.677	0.000
C6	-0.318	-0.655	0.000
H7	-0.301	-2.743	0.000
C8	0.318	-1.846	0.000
H9	2.379	-1.171	0.000
H10	2.088	-2.677	0.880
H11	2.088	-2.677	-0.880
C12	1.795	-2.093	0.000
H13	-2.379	1.171	0.000
H14	-2.088	2.677	0.880
H15	-2.088	2.677	-0.880
C16	-1.795	2.093	0.000

	H1	C2	H3	C4	H5	C6	H7	C8	H9	H10	H11	C12	H13	H14	H15	C16
H1		1.0897	2.3434	2.0884	3.8222	3.4540	5.5194	4.5893	4.4323	5.7750	5.7750	5.0625	3.1066	2.5463	2.5463	2.1945
C2	1.0897		2.0827	1.3500	2.7475	2.5010	4.5893	3.7463	4.0470	5.1982	5.1982	4.4705	2.1689	2.1445	2.1445	1.4983
H3	2.3434	2.0827		1.0883	3.1206	2.1782	3.8222	2.7475	2.0889	3.5340	3.5340	2.7976	3.8171	4.1209	4.1209	3.5008
C4	2.0884	1.3500	1.0883		2.1782	1.4560	3.4540	2.5010	2.7541	3.8744	3.8744	3.1205	2.7458	3.2636	3.2636	2.5564
H5	3.8222	2.7475	3.1206	2.1782		1.0883	2.3434	2.0827	3.8171	4.1209	4.1209	3.5008	2.0889	3.5340	3.5340	2.7976
C6	3.4540	2.5010	2.1782	1.4560	1.0883		2.0884	1.3500	2.7458	3.2636	3.2636	2.5564	2.7541	3.8744	3.8744	3.1205
H7	5.5194	4.5893	3.8222	3.4540	2.3434	2.0884		1.0897	3.1066	2.5463	2.5463	2.1945	4.4323	5.7750	5.7750	5.0625
C8	4.5893	3.7463	2.7475	2.5010	2.0827	1.3500	1.0897		2.1689	2.1445	2.1445	1.4983	4.0470	5.1982	5.1982	4.4705
H9	4.4323	4.0470	2.0889	2.7541	3.8171	2.7458	3.1066	2.1689		1.7682	1.7682	1.0912	5.3037	5.9616	5.9616	5.2997
H10	5.7750	5.1982	3.5340	3.8744	4.1209	3.2636	2.5463	2.1445	1.7682		1.7601	1.0958	5.9616	6.7902	7.0146	6.2140
H11	5.7750	5.1982	3.5340	3.8744	4.1209	3.2636	2.5463	2.1445	1.7682	1.7601		1.0958	5.9616	7.0146	6.7902	6.2140
C12	5.0625	4.4705	2.7976	3.1205	3.5008	2.5564	2.1945	1.4983	1.0912	1.0958	1.0958		5.2997	6.2140	6.2140	5.5159
H13	3.1066	2.1689	3.8171	2.7458	2.0889	2.7541	4.4323	4.0470	5.3037	5.9616	5.9616	5.2997		1.7682	1.7682	1.0912
H14	2.5463	2.1445	4.1209	3.2636	3.5340	3.8744	5.7750	5.1982	5.9616	6.7902	7.0146	6.2140	1.7682		1.7601	1.0958
H15	2.5463	2.1445	4.1209	3.2636	3.5340	3.8744	5.7750	5.1982	5.9616	7.0146	6.7902	6.2140	1.7682	1.7601		1.0958
C16	2.1945	1.4983	3.5008	2.5564	2.7976	3.1205	5.0625	4.4705	5.2997	6.2140	6.2140	5.5159	1.0912	1.0958	1.0958

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C2	C4	117.345	H1	C2	C16	115.066
C2	C4	H3	116.931	C2	C4	C6	126.038
C2	C16	H13	112.825	C2	C16	H14	110.558
C2	C16	H15	110.558	H3	C4	C6	117.031
C4	C2	C16	127.589	C4	C6	H5	117.031
C4	C6	C8	126.038	H5	C6	C8	116.931
C6	C8	H7	117.345	C6	C8	C12	127.589
H7	C8	C12	115.066	C8	C12	H9	112.825
C8	C12	H10	110.558	C8	C12	H11	110.558
H9	C12	H10	107.904	H9	C12	H11	107.904
H10	C12	H11	106.859	H13	C16	H14	107.904
H13	C16	H15	107.904	H14	C16	H15	106.859

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

using model chemistry: MP2/6-31G*

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, (Z,Z)-)

using model chemistry: MP2/6-31G*

States and conformations

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