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	hartrees
Energy at 0K	-232.217625
Energy at 298.15K	-232.223831
Nuclear repulsion energy	188.019969

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3157	3020	46.31
2	A₁	3142	3006	0.30
3	A₁	3047	2915	17.47
4	A₁	2155	2062	0.54
5	A₁	1570	1502	4.81
6	A₁	1480	1416	5.88
7	A₁	1428	1366	0.13
8	A₁	1143	1094	3.04
9	A₁	1115	1067	0.13
10	A₁	762	729	0.37
11	A₁	469	448	5.61
12	A₁	90	86	1.35
13	A₂	3116	2982	0.00
14	A₂	1552	1485	0.00
15	A₂	1106	1058	0.00
16	A₂	878	840	0.00
17	A₂	238	228	0.00
18	A₂	119	114	0.00
19	B₁	3116	2982	50.61
20	B₁	1553	1486	12.54
21	B₁	1105	1057	0.71
22	B₁	733	701	48.06
23	B₁	134	128	1.67
24	B₁	105	100	1.23
25	B₂	3156	3020	22.98
26	B₂	3142	3006	1.63
27	B₂	3047	2915	53.06
28	B₂	1678	1605	3.65
29	B₂	1562	1494	8.84
30	B₂	1478	1414	5.52
31	B₂	1343	1285	11.92
32	B₂	1129	1080	7.39
33	B₂	960	918	17.56
34	B₂	514	492	3.09
35	B₂	155	148	0.10

Atom	x (Å)	y (Å)	z (Å)
H1	0.000	2.227	1.642
H2	0.888	3.501	0.765
H3	-0.888	3.501	0.765
H4	0.000	-2.227	1.642
H5	0.888	-3.501	0.765
H6	-0.888	-3.501	0.765
C7	0.000	2.851	0.739
C8	0.000	-2.851	0.739
H9	0.000	2.519	-1.466
H10	0.000	-2.519	-1.466
C11	0.000	-0.643	-0.513
C12	0.000	0.643	-0.513
C13	0.000	1.985	-0.510
C14	0.000	-1.985	-0.510

	H1	H2	H3	H4	H5	H6	C7	C8	H9	H10	C11	C12	C13	C14
H1		1.7839	1.7839	4.4536	5.8627	5.8627	1.0981	5.1577	3.1214	5.6725	3.5890	2.6739	2.1659	4.7295
H2	1.7839		1.7754	5.8627	7.0030	7.2245	1.1007	6.4144	2.5940	6.4812	4.4272	3.2540	2.1714	5.7018
H3	1.7839	1.7754		5.8627	7.2245	7.0030	1.1007	6.4144	2.5940	6.4812	4.4272	3.2540	2.1714	5.7018
H4	4.4536	5.8627	5.8627		1.7839	1.7839	5.1577	1.0981	5.6725	3.1214	2.6739	3.5890	4.7295	2.1659
H5	5.8627	7.0030	7.2245	1.7839		1.7754	6.4144	1.1007	6.4812	2.5940	3.2540	4.4272	5.7018	2.1714
H6	5.8627	7.2245	7.0030	1.7839	1.7754		6.4144	1.1007	6.4812	2.5940	3.2540	4.4272	5.7018	2.1714
C7	1.0981	1.1007	1.1007	5.1577	6.4144	6.4144		5.7022	2.2293	5.8046	3.7119	2.5376	1.5202	4.9944
C8	5.1577	6.4144	6.4144	1.0981	1.1007	1.1007	5.7022		5.8046	2.2293	2.5376	3.7119	4.9944	1.5202
H9	3.1214	2.5940	2.5940	5.6725	6.4812	6.4812	2.2293	5.8046		5.0374	3.3026	2.1035	1.0945	4.6035
H10	5.6725	6.4812	6.4812	3.1214	2.5940	2.5940	5.8046	2.2293	5.0374		2.1035	3.3026	4.6035	1.0945
C11	3.5890	4.4272	4.4272	2.6739	3.2540	3.2540	3.7119	2.5376	3.3026	2.1035		1.2869	2.6280	1.3411
C12	2.6739	3.2540	3.2540	3.5890	4.4272	4.4272	2.5376	3.7119	2.1035	3.3026	1.2869		1.3411	2.6280
C13	2.1659	2.1714	2.1714	4.7295	5.7018	5.7018	1.5202	4.9944	1.0945	4.6035	2.6280	1.3411		3.9691
C14	4.7295	5.7018	5.7018	2.1659	2.1714	2.1714	4.9944	1.5202	4.6035	1.0945	1.3411	2.6280	3.9691

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C7	H2	108.444	H1	C7	H3	108.444
H1	C7	C13	110.597	H2	C7	H3	107.500
H2	C7	C13	110.875	H3	C7	C13	110.875
H4	C8	H5	108.444	H4	C8	H6	108.444
H4	C8	C14	110.597	H5	C8	H6	107.500
H5	C8	C14	110.875	H6	C8	C14	110.875
C7	C13	H9	116.038	C7	C13	C12	124.853
C8	C14	H10	116.038	C8	C14	C11	124.853
H9	C13	C12	119.109	H10	C14	C11	119.109
C11	C12	C13	179.900	C12	C11	C14	179.900

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

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

using model chemistry: MP2/6-31G

States and conformations

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