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	hartrees
Energy at 0K	-234.665138
Energy at 298.15K	-234.674574
HF Energy	-234.665138
Nuclear repulsion energy	213.008706

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3167	3057	71.20
2	A'	3161	3050	0.00
3	A'	3138	3029	0.00
4	A'	3137	3027	36.81
5	A'	3120	3011	11.54
6	A'	3117	3008	0.00
7	A'	3018	2913	0.00
8	A'	3018	2912	75.58
9	A'	1711	1651	0.00
10	A'	1667	1609	13.79
11	A'	1501	1448	0.00
12	A'	1497	1445	16.04
13	A'	1469	1417	0.00
14	A'	1423	1373	5.78
15	A'	1410	1360	0.00
16	A'	1372	1324	12.62
17	A'	1301	1256	0.00
18	A'	1264	1220	0.51
19	A'	1172	1131	0.00
20	A'	1078	1041	0.26
21	A'	1004	969	0.00
22	A'	925	893	33.94
23	A'	913	881	0.00
24	A'	633	610	0.00
25	A'	512	495	15.67
26	A'	264	254	0.00
27	A'	177	171	0.14
28	A"	3063	2956	46.87
29	A"	3063	2956	0.00
30	A"	1490	1438	0.00
31	A"	1490	1438	8.03
32	A"	1055	1018	0.00
33	A"	1054	1017	2.01
34	A"	1026	990	0.57
35	A"	986	952	0.00
36	A"	816	787	0.00
37	A"	707	683	45.24
38	A"	468	452	0.00
39	A"	317	305	0.00
40	A"	137	133	0.00
41	A"	126	121	0.59
42	A"	66	64	0.42

Atom	x (Å)	y (Å)	z (Å)
H1	1.564	2.270	0.000
C2	0.594	1.775	0.000
H3	1.552	-0.070	0.000
C4	0.586	0.429	0.000
H5	-1.552	0.070	0.000
C6	-0.586	-0.429	0.000
H7	-1.564	-2.270	0.000
C8	-0.594	-1.775	0.000
H9	1.543	-2.174	0.000
H10	0.562	-3.358	0.879
H11	0.562	-3.358	-0.879
C12	0.586	-2.701	0.000
H13	-1.543	2.174	0.000
H14	-0.562	3.358	0.879
H15	-0.562	3.358	-0.879
C16	-0.586	2.701	0.000

	H1	C2	H3	C4	H5	C6	H7	C8	H9	H10	H11	C12	H13	H14	H15	C16
H1		1.0890	2.3399	2.0844	3.8144	3.4504	5.5128	4.5843	4.4438	5.7832	5.7832	5.0659	3.1082	2.5451	2.5451	2.1926
C2	1.0890		2.0791	1.3460	2.7409	2.4998	4.5843	3.7433	4.0613	5.2076	5.2076	4.4758	2.1735	2.1482	2.1482	1.4996
H3	2.3399	2.0791		1.0876	3.1078	2.1682	3.8144	2.7409	2.1039	3.5443	3.5443	2.8026	3.8230	4.1224	4.1224	3.4999
C4	2.0844	1.3460	1.0876		2.1682	1.4524	3.4504	2.4998	2.7732	3.8876	3.8876	3.1298	2.7525	3.2664	3.2664	2.5562
H5	3.8144	2.7409	3.1078	2.1682		1.0876	2.3399	2.0791	3.8230	4.1224	4.1224	3.4999	2.1039	3.5443	3.5443	2.8026
C6	3.4504	2.4998	2.1682	1.4524	1.0876		2.0844	1.3460	2.7525	3.2664	3.2664	2.5563	2.7732	3.8876	3.8876	3.1298
H7	5.5128	4.5843	3.8144	3.4504	2.3399	2.0844		1.0890	3.1082	2.5451	2.5451	2.1926	4.4438	5.7832	5.7832	5.0659
C8	4.5843	3.7433	2.7409	2.4998	2.0791	1.3460	1.0890		2.1735	2.1482	2.1482	1.4996	4.0613	5.2076	5.2076	4.4758
H9	4.4438	4.0613	2.1039	2.7732	3.8230	2.7525	3.1082	2.1735		1.7708	1.7708	1.0923	5.3315	5.9837	5.9837	5.3193
H10	5.7832	5.2076	3.5443	3.8876	4.1224	3.2664	2.5451	2.1482	1.7708		1.7584	1.0978	5.9837	6.8090	7.0324	6.2288
H11	5.7832	5.2076	3.5443	3.8876	4.1224	3.2664	2.5451	2.1482	1.7708	1.7584		1.0978	5.9837	7.0324	6.8090	6.2288
C12	5.0659	4.4758	2.8026	3.1298	3.4999	2.5563	2.1926	1.4996	1.0923	1.0978	1.0978		5.3193	6.2288	6.2288	5.5273
H13	3.1082	2.1735	3.8230	2.7525	2.1039	2.7732	4.4438	4.0613	5.3315	5.9837	5.9837	5.3193		1.7708	1.7708	1.0923
H14	2.5451	2.1482	4.1224	3.2664	3.5443	3.8876	5.7832	5.2076	5.9837	6.8090	7.0324	6.2288	1.7708		1.7584	1.0978
H15	2.5451	2.1482	4.1224	3.2664	3.5443	3.8876	5.7832	5.2076	5.9837	7.0324	6.8090	6.2288	1.7708	1.7584		1.0978
C16	2.1926	1.4996	3.4999	2.5562	2.8026	3.1298	5.0659	4.4758	5.3193	6.2288	6.2288	5.5273	1.0923	1.0978	1.0978

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C2	C4	117.358	H1	C2	C16	114.850
C2	C4	H3	116.980	C2	C4	C6	126.542
C2	C16	H13	113.037	C2	C16	H14	110.642
C2	C16	H15	110.642	H3	C4	C6	116.478
C4	C2	C16	127.792	C4	C6	H5	116.478
C4	C6	C8	126.542	H5	C6	C8	116.980
C6	C8	H7	117.358	C6	C8	C12	127.792
H7	C8	C12	114.850	C8	C12	H9	113.037
C8	C12	H10	110.642	C8	C12	H11	110.642
H9	C12	H10	107.908	H9	C12	H11	107.908
H10	C12	H11	106.430	H13	C16	H14	107.908
H13	C16	H15	107.908	H14	C16	H15	106.430

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

using model chemistry: TPSSh/6-31G(2df,p)

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: TPSSh/6-31G(2df,p)

States and conformations

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