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	hartrees
Energy at 0K	-37.919596
Energy at 298.15K	-37.925833
HF Energy	-37.391390
Nuclear repulsion energy	98.470527

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3093	3019	56.86
2	A₁	3076	3002	0.09
3	A₁	2958	2887	27.77
4	A₁	2078	2029	1.60
5	A₁	1528	1492	6.35
6	A₁	1451	1416	8.27
7	A₁	1391	1358	0.31
8	A₁	1123	1096	2.70
9	A₁	1080	1054	0.18
10	A₁	738	720	0.48
11	A₁	454	443	7.24
12	A₁	95	93	2.05
13	A₂	3048	2975	0.00
14	A₂	1497	1461	0.00
15	A₂	1070	1044	0.00
16	A₂	825	805	0.00
17	A₂	228	222	0.00
18	A₂	108	105	0.00
19	B₁	3048	2975	67.67
20	B₁	1498	1462	15.22
21	B₁	1068	1043	3.01
22	B₁	678	662	55.38
23	B₁	178	173	4.23
24	B₁	91	89	0.64
25	B₂	3093	3019	32.40
26	B₂	3076	3003	5.00
27	B₂	2958	2887	75.21
28	B₂	1624	1585	2.69
29	B₂	1519	1483	12.60
30	B₂	1449	1415	3.48
31	B₂	1307	1276	12.58
32	B₂	1103	1077	3.80
33	B₂	934	912	20.12
34	B₂	504	492	1.97
35	B₂	201	196	0.30

Atom	x (Å)	y (Å)	z (Å)
H1	0.000	2.244	1.614
H2	0.892	3.527	0.736
H3	-0.892	3.527	0.736
H4	0.000	-2.244	1.614
H5	0.892	-3.527	0.736
H6	-0.892	-3.527	0.736
C7	0.000	2.876	0.711
C8	0.000	-2.876	0.711
H9	0.000	2.528	-1.522
H10	0.000	-2.528	-1.522
C11	0.000	-0.650	-0.546
C12	0.000	0.650	-0.546
C13	0.000	2.005	-0.556
C14	0.000	-2.005	-0.556

	H1	H2	H3	H4	H5	H6	C7	C8	H9	H10	C11	C12	C13	C14
H1		1.7919	1.7919	4.4883	5.9051	5.9051	1.1015	5.1988	3.1485	5.7099	3.6110	2.6848	2.1826	4.7709
H2	1.7919		1.7844	5.9051	7.0538	7.2759	1.1048	6.4645	2.6259	6.5233	4.4592	3.2742	2.1868	5.7504
H3	1.7919	1.7844		5.9051	7.2759	7.0538	1.1048	6.4645	2.6259	6.5233	4.4592	3.2742	2.1868	5.7504
H4	4.4883	5.9051	5.9051		1.7919	1.7919	5.1988	1.1015	5.7099	3.1485	2.6848	3.6110	4.7709	2.1826
H5	5.9051	7.0538	7.2759	1.7919		1.7844	6.4645	1.1048	6.5233	2.6259	3.2742	4.4592	5.7504	2.1868
H6	5.9051	7.2759	7.0538	1.7919	1.7844		6.4645	1.1048	6.5233	2.6259	3.2742	4.4592	5.7504	2.1868
C7	1.1015	1.1048	1.1048	5.1988	6.4645	6.4645		5.7514	2.2603	5.8467	3.7429	2.5567	1.5374	5.0424
C8	5.1988	6.4645	6.4645	1.1015	1.1048	1.1048	5.7514		5.8467	2.2603	2.5567	3.7429	5.0424	1.5374
H9	3.1485	2.6259	2.6259	5.7099	6.5233	6.5233	2.2603	5.8467		5.0553	3.3237	2.1164	1.0986	4.6344
H10	5.7099	6.5233	6.5233	3.1485	2.6259	2.6259	5.8467	2.2603	5.0553		2.1164	3.3237	4.6344	1.0986
C11	3.6110	4.4592	4.4592	2.6848	3.2742	3.2742	3.7429	2.5567	3.3237	2.1164		1.2992	2.6546	1.3554
C12	2.6848	3.2742	3.2742	3.6110	4.4592	4.4592	2.5567	3.7429	2.1164	3.3237	1.2992		1.3554	2.6546
C13	2.1826	2.1868	2.1868	4.7709	5.7504	5.7504	1.5374	5.0424	1.0986	4.6344	2.6546	1.3554		4.0099
C14	4.7709	5.7504	5.7504	2.1826	2.1868	2.1868	5.0424	1.5374	4.6344	1.0986	1.3554	2.6546	4.0099

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C7	H2	108.618	H1	C7	H3	108.618
H1	C7	C13	110.516	H2	C7	H3	107.709
H2	C7	C13	110.647	H3	C7	C13	110.647
H4	C8	H5	108.618	H4	C8	H6	108.618
H4	C8	C14	110.516	H5	C8	H6	107.709
H5	C8	C14	110.647	H6	C8	C14	110.647
C7	C13	H9	117.091	C7	C13	C12	124.098
C8	C14	H10	117.091	C8	C14	C11	124.098
H9	C13	C12	118.811	H10	C14	C11	118.811
C11	C12	C13	179.600	C12	C11	C14	179.600

All results from a given calculation for C₆H₈ ((Z)-hexa-2,3,4-triene)

using model chemistry: MP2/CEP-121G

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 C6H8 ((Z)-hexa-2,3,4-triene)

using model chemistry: MP2/CEP-121G

States and conformations

All results from a given calculation for C₆H₈ ((Z)-hexa-2,3,4-triene)