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	hartrees
Energy at 0K	-233.840420
Energy at 298.15K	-233.849716
HF Energy	-233.007706
Nuclear repulsion energy	213.378480

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3264	3057	65.66
2	A'	3257	3050	0.00
3	A'	3246	3040	0.00
4	A'	3240	3034	19.19
5	A'	3227	3022	8.56
6	A'	3222	3018	0.00
7	A'	3122	2923	29.62
8	A'	3122	2923	19.31
9	A'	1752	1641	0.00
10	A'	1692	1585	8.15
11	A'	1551	1453	0.00
12	A'	1548	1449	13.18
13	A'	1508	1413	0.00
14	A'	1472	1378	6.84
15	A'	1459	1366	0.00
16	A'	1404	1315	7.23
17	A'	1335	1250	0.00
18	A'	1296	1214	0.40
19	A'	1204	1127	0.00
20	A'	1119	1048	0.51
21	A'	1036	970	0.00
22	A'	956	896	21.44
23	A'	945	885	0.00
24	A'	643	602	0.00
25	A'	524	491	12.97
26	A'	280	262	0.00
27	A'	193	180	0.15
28	A"	3194	2991	26.65
29	A"	3194	2991	11.06
30	A"	1539	1441	0.15
31	A"	1539	1441	9.45
32	A"	1086	1017	0.00
33	A"	1084	1015	1.60
34	A"	994	931	0.31
35	A"	954	893	0.00
36	A"	787	737	0.00
37	A"	700	656	54.85
38	A"	455	426	0.00
39	A"	298	279	0.00
40	A"	96	90	0.00
41	A"	88	82	0.73
42	A"	44	41	0.10

Atom	x (Å)	y (Å)	z (Å)
H1	0.926	-2.594	0.000
C2	1.092	-1.521	0.000
H3	-0.964	-1.222	0.000
C4	0.000	-0.727	0.000
H5	0.964	1.222	0.000
C6	0.000	0.727	0.000
H7	-0.926	2.594	0.000
C8	-1.092	1.521	0.000
H9	-2.647	0.016	0.000
H10	-3.044	1.491	0.877
H11	-3.044	1.491	-0.877
C12	-2.528	1.097	0.000
H13	2.647	-0.016	0.000
H14	3.044	-1.491	0.877
H15	3.044	-1.491	-0.877
C16	2.528	-1.097	0.000

	H1	C2	H3	C4	H5	C6	H7	C8	H9	H10	H11	C12	H13	H14	H15	C16
H1		1.0854	2.3351	2.0835	3.8163	3.4479	5.5083	4.5832	4.4249	5.7635	5.7635	5.0548	3.0993	2.5438	2.5438	2.1930
C2	1.0854		2.0775	1.3500	2.7465	2.4998	4.5832	3.7452	4.0429	5.1914	5.1914	4.4676	2.1640	2.1402	2.1402	1.4978
H3	2.3351	2.0775		1.0835	3.1133	2.1750	3.8163	2.7465	2.0898	3.5298	3.5298	2.7972	3.8070	4.1116	4.1116	3.4945
C4	2.0835	1.3500	1.0835		2.1750	1.4548	3.4479	2.4998	2.7496	3.8675	3.8675	3.1176	2.7409	3.2586	3.2586	2.5551
H5	3.8163	2.7465	3.1133	2.1750		1.0835	2.3351	2.0775	3.8071	4.1116	4.1116	3.4945	2.0898	3.5297	3.5297	2.7972
C6	3.4479	2.4998	2.1750	1.4548	1.0835		2.0835	1.3500	2.7409	3.2586	3.2586	2.5551	2.7496	3.8675	3.8675	3.1176
H7	5.5083	4.5832	3.8163	3.4479	2.3351	2.0835		1.0854	3.0993	2.5438	2.5438	2.1930	4.4249	5.7634	5.7634	5.0548
C8	4.5832	3.7452	2.7465	2.4998	2.0775	1.3500	1.0854		2.1640	2.1402	2.1402	1.4978	4.0429	5.1914	5.1914	4.4676
H9	4.4249	4.0429	2.0898	2.7496	3.8071	2.7409	3.0993	2.1640		1.7613	1.7613	1.0867	5.2943	5.9524	5.9524	5.2937
H10	5.7635	5.1914	3.5298	3.8675	4.1116	3.2586	2.5438	2.1402	1.7613		1.7540	1.0913	5.9524	6.7793	7.0026	6.2062
H11	5.7635	5.1914	3.5298	3.8675	4.1116	3.2586	2.5438	2.1402	1.7613	1.7540		1.0913	5.9524	7.0026	6.7793	6.2062
C12	5.0548	4.4676	2.7972	3.1176	3.4945	2.5551	2.1930	1.4978	1.0867	1.0913	1.0913		5.2937	6.2062	6.2062	5.5118
H13	3.0993	2.1640	3.8070	2.7409	2.0898	2.7496	4.4249	4.0429	5.2943	5.9524	5.9524	5.2937		1.7613	1.7613	1.0867
H14	2.5438	2.1402	4.1116	3.2586	3.5297	3.8675	5.7634	5.1914	5.9524	6.7793	7.0026	6.2062	1.7613		1.7540	1.0913
H15	2.5438	2.1402	4.1116	3.2586	3.5297	3.8675	5.7634	5.1914	5.9524	7.0026	6.7793	6.2062	1.7613	1.7540		1.0913
C16	2.1930	1.4978	3.4945	2.5551	2.7972	3.1176	5.0548	4.4676	5.2937	6.2062	6.2062	5.5118	1.0867	1.0913	1.0913

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C2	C4	117.216	H1	C2	C16	115.270
C2	C4	H3	116.810	C2	C4	C6	126.016
C2	C16	H13	112.746	C2	C16	H14	110.524
C2	C16	H15	110.524	H3	C4	C6	117.175
C4	C2	C16	127.513	C4	C6	H5	117.174
C4	C6	C8	126.016	H5	C6	C8	116.810
C6	C8	H7	117.216	C6	C8	C12	127.514
H7	C8	C12	115.270	C8	C12	H9	112.746
C8	C12	H10	110.524	C8	C12	H11	110.524
H9	C12	H10	107.931	H9	C12	H11	107.931
H10	C12	H11	106.963	H13	C16	H14	107.932
H13	C16	H15	107.932	H14	C16	H15	106.963

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)-)