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	hartrees
Energy at 0K	-231.817082
Energy at 298.15K	-231.823486
HF Energy	-231.817082
Nuclear repulsion energy	190.640192

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3171	3055	23.77
2	A₁	3151	3035	1.61
3	A₁	3052	2940	7.75
4	A₁	2260	2177	0.54
5	A₁	1554	1497	7.42
6	A₁	1456	1403	13.98
7	A₁	1413	1361	0.07
8	A₁	1134	1092	4.31
9	A₁	1109	1069	0.01
10	A₁	779	750	0.07
11	A₁	484	467	5.30
12	A₁	96	92	1.85
13	A₂	3105	2991	0.00
14	A₂	1545	1488	0.00
15	A₂	1092	1052	0.00
16	A₂	879	847	0.00
17	A₂	576	555	0.00
18	A₂	233	225	0.00
19	A₂	148	143	0.00
20	B₁	3105	2991	28.14
21	B₁	1546	1489	22.08
22	B₁	1089	1049	0.23
23	B₁	731	704	66.37
24	B₁	231	222	1.87
25	B₁	130	125	3.17
26	B₂	3171	3055	4.43
27	B₂	3152	3036	0.01
28	B₂	3052	2940	42.65
29	B₂	1740	1677	1.27
30	B₂	1543	1486	15.68
31	B₂	1452	1399	1.52
32	B₂	1327	1278	14.98
33	B₂	1125	1084	12.34
34	B₂	951	916	38.13
35	B₂	578	557	3.34
36	B₂	220	212	0.58

Atom	x (Å)	y (Å)	z (Å)
H1	0.000	2.020	1.604
H2	0.864	3.343	0.802
H3	-0.864	3.343	0.802
H4	0.000	-2.020	1.604
H5	0.864	-3.343	0.802
H6	-0.864	-3.343	0.802
C7	0.000	2.693	0.746
C8	0.000	-2.693	0.746
H9	0.000	2.449	-1.418
H10	0.000	-2.449	-1.418
C11	0.000	-0.615	-0.531
C12	0.000	0.615	-0.531
C13	0.000	1.921	-0.513
C14	0.000	-1.921	-0.513

	H1	H2	H3	H4	H5	H6	C7	C8	H9	H10	C11	C12	C13	C14
H1		1.7720	1.7720	4.0393	5.4905	5.4905	1.0907	4.7905	3.0526	5.3945	3.3911	2.5555	2.1194	4.4738
H2	1.7720		1.7275	5.4905	6.6858	6.9054	1.0821	6.0981	2.5449	6.2626	4.2649	3.1566	2.1205	5.4945
H3	1.7720	1.7275		5.4905	6.9054	6.6858	1.0821	6.0981	2.5449	6.2626	4.2649	3.1566	2.1205	5.4945
H4	4.0393	5.4905	5.4905		1.7720	1.7720	4.7905	1.0907	5.3945	3.0526	2.5555	3.3911	4.4738	2.1194
H5	5.4905	6.6858	6.9054	1.7720		1.7275	6.0981	1.0821	6.2626	2.5449	3.1566	4.2649	5.4945	2.1205
H6	5.4905	6.9054	6.6858	1.7720	1.7275		6.0981	1.0821	6.2626	2.5449	3.1566	4.2649	5.4945	2.1205
C7	1.0907	1.0821	1.0821	4.7905	6.0981	6.0981		5.3870	2.1784	5.5793	3.5466	2.4395	1.4772	4.7837
C8	4.7905	6.0981	6.0981	1.0907	1.0821	1.0821	5.3870		5.5793	2.1784	2.4395	3.5466	4.7837	1.4772
H9	3.0526	2.5449	2.5449	5.3945	6.2626	6.2626	2.1784	5.5793		4.8975	3.1898	2.0371	1.0476	4.4630
H10	5.3945	6.2626	6.2626	3.0526	2.5449	2.5449	5.5793	2.1784	4.8975		2.0371	3.1898	4.4630	1.0476
C11	3.3911	4.2649	4.2649	2.5555	3.1566	3.1566	3.5466	2.4395	3.1898	2.0371		1.2302	2.5367	1.3065
C12	2.5555	3.1566	3.1566	3.3911	4.2649	4.2649	2.4395	3.5466	2.0371	3.1898	1.2302		1.3065	2.5367
C13	2.1194	2.1205	2.1205	4.4738	5.4945	5.4945	1.4772	4.7837	1.0476	4.4630	2.5367	1.3065		3.8430
C14	4.4738	5.4945	5.4945	2.1194	2.1205	2.1205	4.7837	1.4772	4.4630	1.0476	1.3065	2.5367	3.8430

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C7	H2	109.278	H1	C7	H3	109.278
H1	C7	C13	110.337	H2	C7	H3	105.921
H2	C7	C13	110.958	H3	C7	C13	110.958
H4	C8	H5	109.278	H4	C8	H6	109.278
H4	C8	C14	110.337	H5	C8	H6	105.921
H5	C8	C14	110.958	H6	C8	C14	110.958
C7	C13	H9	118.271	C7	C13	C12	122.287
C8	C14	H10	118.271	C8	C14	C11	122.287
H9	C13	C12	119.441	H10	C14	C11	119.441
C11	C12	C13	179.220	C12	C11	C14	179.220

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

using model chemistry: HSEh1PBE/3-21G

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: HSEh1PBE/3-21G

States and conformations

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