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	hartrees
Energy at 0K	-233.439321
Energy at 298.15K	-233.448443
HF Energy	-232.920908
Nuclear repulsion energy	209.318758

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3176	3066	119.65
2	A'	3168	3058	0.00
3	A'	3146	3037	0.00
4	A'	3137	3028	45.63
5	A'	3133	3024	2.89
6	A'	3125	3016	0.00
7	A'	3016	2911	0.02
8	A'	3016	2911	71.03
9	A'	1684	1625	0.00
10	A'	1621	1564	7.82
11	A'	1538	1485	0.00
12	A'	1533	1480	22.23
13	A'	1478	1426	0.00
14	A'	1467	1416	18.71
15	A'	1462	1411	0.00
16	A'	1401	1352	0.80
17	A'	1328	1282	0.00
18	A'	1290	1245	1.90
19	A'	1183	1142	0.00
20	A'	1103	1065	2.02
21	A'	1020	985	0.00
22	A'	928	896	22.89
23	A'	902	870	0.00
24	A'	634	612	0.00
25	A'	520	502	11.06
26	A'	273	263	0.00
27	A'	189	182	0.18
28	A"	3095	2987	62.37
29	A"	3095	2987	0.90
30	A"	1524	1471	18.03
31	A"	1523	1471	0.00
32	A"	1089	1052	0.00
33	A"	1089	1051	1.70
34	A"	929	897	0.02
35	A"	907	876	0.00
36	A"	763	736	0.00
37	A"	670	647	100.92
38	A"	450	434	0.00
39	A"	296	286	0.09
40	A"	84	81	0.00
41	A"	75	72	1.00
42	A"	39	37	0.13

Atom	x (Å)	y (Å)	z (Å)
H1	0.945	-2.641	0.000
C2	1.112	-1.555	0.000
H3	-0.978	-1.241	0.000
C4	0.000	-0.743	0.000
H5	0.978	1.241	0.000
C6	0.000	0.743	0.000
H7	-0.945	2.641	0.000
C8	-1.112	1.555	0.000
H9	-2.694	0.024	0.000
H10	-3.101	1.518	0.891
H11	-3.101	1.518	-0.891
C12	-2.581	1.120	0.000
H13	2.694	-0.024	0.000
H14	3.101	-1.518	0.891
H15	3.101	-1.518	-0.891
C16	2.581	-1.120	0.000

	H1	C2	H3	C4	H5	C6	H7	C8	H9	H10	H11	C12	H13	H14	H15	C16
H1		1.0990	2.3786	2.1202	3.8823	3.5141	5.6106	4.6738	4.5105	5.8707	5.8707	5.1553	3.1483	2.5901	2.5901	2.2346
C2	1.0990		2.1135	1.3771	2.7992	2.5536	4.6738	3.8242	4.1209	5.2909	5.2909	4.5603	2.2016	2.1800	2.1800	1.5320
H3	2.3786	2.1135		1.0970	3.1592	2.2118	3.8823	2.7993	2.1319	3.5936	3.5936	2.8535	3.8681	4.1845	4.1845	3.5608
C4	2.1202	1.3771	1.0970		2.2118	1.4866	3.5141	2.5536	2.8012	3.9403	3.9403	3.1832	2.7884	3.3186	3.3186	2.6083
H5	3.8823	2.7992	3.1592	2.2118		1.0970	2.3786	2.1135	3.8681	4.1846	4.1846	3.5608	2.1318	3.5935	3.5935	2.8534
C6	3.5141	2.5536	2.2118	1.4866	1.0970		2.1202	1.3771	2.7884	3.3186	3.3186	2.6083	2.8011	3.9403	3.9403	3.1832
H7	5.6106	4.6738	3.8823	3.5141	2.3786	2.1202		1.0990	3.1483	2.5901	2.5901	2.2346	4.5104	5.8706	5.8706	5.1553
C8	4.6738	3.8242	2.7993	2.5536	2.1135	1.3771	1.0990		2.2016	2.1800	2.1800	1.5320	4.1209	5.2909	5.2909	4.5603
H9	4.5105	4.1209	2.1319	2.8012	3.8681	2.7884	3.1483	2.2016		1.7867	1.7867	1.1017	5.3882	6.0629	6.0629	5.3976
H10	5.8707	5.2909	3.5936	3.9403	4.1846	3.3186	2.5901	2.1800	1.7867		1.7827	1.1062	6.0628	6.9058	7.1321	6.3278
H11	5.8707	5.2909	3.5936	3.9403	4.1846	3.3186	2.5901	2.1800	1.7867	1.7827		1.1062	6.0628	7.1321	6.9058	6.3278
C12	5.1553	4.5603	2.8535	3.1832	3.5608	2.6083	2.2346	1.5320	1.1017	1.1062	1.1062		5.3976	6.3278	6.3278	5.6269
H13	3.1483	2.2016	3.8681	2.7884	2.1318	2.8011	4.5104	4.1209	5.3882	6.0628	6.0628	5.3976		1.7867	1.7867	1.1017
H14	2.5901	2.1800	4.1845	3.3186	3.5935	3.9403	5.8706	5.2909	6.0629	6.9058	7.1321	6.3278	1.7867		1.7827	1.1062
H15	2.5901	2.1800	4.1845	3.3186	3.5935	3.9403	5.8706	5.2909	6.0629	7.1321	6.9058	6.3278	1.7867	1.7827		1.1062
C16	2.2346	1.5320	3.5608	2.6083	2.8534	3.1832	5.1553	4.5603	5.3976	6.3278	6.3278	5.6269	1.1017	1.1062	1.1062

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C2	C4	117.360	H1	C2	C16	115.291
C2	C4	H3	116.907	C2	C4	C6	126.133
C2	C16	H13	112.404	C2	C16	H14	110.406
C2	C16	H15	110.406	H3	C4	C6	116.960
C4	C2	C16	127.349	C4	C6	H5	116.960
C4	C6	C8	126.134	H5	C6	C8	116.907
C6	C8	H7	117.360	C6	C8	C12	127.350
H7	C8	C12	115.290	C8	C12	H9	112.404
C8	C12	H10	110.406	C8	C12	H11	110.406
H9	C12	H10	108.041	H9	C12	H11	108.041
H10	C12	H11	107.367	H13	C16	H14	108.041
H13	C16	H15	108.041	H14	C16	H15	107.368

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

using model chemistry: MP2/SDD

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/SDD

States and conformations

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