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	hartrees
Energy at 0K	-233.810564
Energy at 298.15K	-233.819921
HF Energy	-232.991176
Nuclear repulsion energy	212.888088

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3235	3036	63.16
2	A'	3228	3030	0.00
3	A'	3210	3013	0.00
4	A'	3202	3006	35.62
5	A'	3196	3000	1.94
6	A'	3189	2993	0.00
7	A'	3096	2906	46.89
8	A'	3096	2906	0.04
9	A'	1795	1685	0.00
10	A'	1732	1626	7.77
11	A'	1554	1459	0.00
12	A'	1552	1457	15.00
13	A'	1519	1426	0.00
14	A'	1486	1395	9.50
15	A'	1472	1382	0.00
16	A'	1421	1333	5.54
17	A'	1350	1267	0.00
18	A'	1311	1231	0.43
19	A'	1209	1135	0.00
20	A'	1126	1057	0.70
21	A'	1039	976	0.00
22	A'	960	902	20.88
23	A'	946	888	0.00
24	A'	648	608	0.00
25	A'	531	498	13.67
26	A'	284	266	0.00
27	A'	196	184	0.19
28	A"	3153	2959	40.62
29	A"	3153	2959	0.14
30	A"	1543	1448	11.61
31	A"	1543	1448	0.90
32	A"	1097	1029	0.00
33	A"	1095	1027	1.48
34	A"	1001	940	0.25
35	A"	968	909	0.00
36	A"	804	755	0.00
37	A"	703	660	62.93
38	A"	466	438	0.00
39	A"	307	288	0.01
40	A"	103	96	0.00
41	A"	95	89	0.59
42	A"	45	42	0.15

Atom	x (Å)	y (Å)	z (Å)
H1	0.920	-2.602	0.000
C2	1.086	-1.525	0.000
H3	-0.971	-1.223	0.000
C4	-0.000	-0.732	0.000
H5	0.971	1.223	0.000
C6	0.000	0.732	0.000
H7	-0.919	2.602	0.000
C8	-1.086	1.525	0.000
H9	-2.660	0.027	0.000
H10	-3.045	1.512	0.881
H11	-3.045	1.512	-0.881
C12	-2.531	1.110	0.000
H13	2.660	-0.027	0.000
H14	3.045	-1.512	0.881
H15	3.045	-1.512	-0.881
C16	2.531	-1.110	0.000

	H1	C2	H3	C4	H5	C6	H7	C8	H9	H10	H11	C12	H13	H14	H15	C16
H1		1.0896	2.3398	2.0838	3.8253	3.4587	5.5196	4.5888	4.4415	5.7809	5.7809	5.0684	3.1087	2.5463	2.5463	2.1959
C2	1.0896		2.0787	1.3447	2.7506	2.5051	4.5888	3.7448	4.0551	5.2026	5.2026	4.4754	2.1738	2.1483	2.1483	1.5034
H3	2.3398	2.0787		1.0876	3.1225	2.1827	3.8253	2.7506	2.1017	3.5438	3.5438	2.8070	3.8230	4.1215	4.1215	3.5033
C4	2.0838	1.3447	1.0876		2.1827	1.4644	3.4587	2.5051	2.7666	3.8839	3.8839	3.1306	2.7524	3.2646	3.2646	2.5590
H5	3.8253	2.7506	3.1225	2.1827		1.0876	2.3398	2.0787	3.8230	4.1215	4.1215	3.5033	2.1016	3.5437	3.5437	2.8069
C6	3.4587	2.5051	2.1827	1.4644	1.0876		2.0838	1.3447	2.7524	3.2646	3.2646	2.5590	2.7665	3.8839	3.8839	3.1306
H7	5.5196	4.5888	3.8253	3.4587	2.3398	2.0838		1.0896	3.1087	2.5463	2.5463	2.1959	4.4414	5.7809	5.7809	5.0683
C8	4.5888	3.7448	2.7506	2.5051	2.0787	1.3447	1.0896		2.1738	2.1483	2.1483	1.5034	4.0551	5.2025	5.2025	4.4753
H9	4.4415	4.0551	2.1017	2.7666	3.8230	2.7524	3.1087	2.1738		1.7691	1.7691	1.0915	5.3212	5.9748	5.9748	5.3144
H10	5.7809	5.2026	3.5438	3.8839	4.1215	3.2646	2.5463	2.1483	1.7691		1.7620	1.0962	5.9747	6.7997	7.0242	6.2246
H11	5.7809	5.2026	3.5438	3.8839	4.1215	3.2646	2.5463	2.1483	1.7691	1.7620		1.0962	5.9747	7.0242	6.7997	6.2246
C12	5.0684	4.4754	2.8070	3.1306	3.5033	2.5590	2.1959	1.5034	1.0915	1.0962	1.0962		5.3144	6.2246	6.2246	5.5276
H13	3.1087	2.1738	3.8230	2.7524	2.1016	2.7665	4.4414	4.0551	5.3212	5.9747	5.9747	5.3144		1.7691	1.7691	1.0915
H14	2.5463	2.1483	4.1215	3.2646	3.5437	3.8839	5.7809	5.2025	5.9748	6.7997	7.0242	6.2246	1.7691		1.7620	1.0962
H15	2.5463	2.1483	4.1215	3.2646	3.5437	3.8839	5.7809	5.2025	5.9748	7.0242	6.7997	6.2246	1.7691	1.7620		1.0962
C16	2.1959	1.5034	3.5033	2.5590	2.8069	3.1306	5.0683	4.4753	5.3144	6.2246	6.2246	5.5276	1.0915	1.0962	1.0962

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C2	C4	117.358	H1	C2	C16	114.807
C2	C4	H3	117.037	C2	C4	C6	126.143
C2	C16	H13	112.836	C2	C16	H14	110.483
C2	C16	H15	110.483	H3	C4	C6	116.819
C4	C2	C16	127.835	C4	C6	H5	116.819
C4	C6	C8	126.144	H5	C6	C8	117.037
C6	C8	H7	117.358	C6	C8	C12	127.836
H7	C8	C12	114.807	C8	C12	H9	112.836
C8	C12	H10	110.482	C8	C12	H11	110.482
H9	C12	H10	107.928	H9	C12	H11	107.928
H10	C12	H11	106.961	H13	C16	H14	107.928
H13	C16	H15	107.928	H14	C16	H15	106.961

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

using model chemistry: MP3/6-31G*

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: MP3/6-31G*

States and conformations

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