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	hartrees
Energy at 0K	-232.823514
Energy at 298.15K	-232.829830
Nuclear repulsion energy	190.706175

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3184	3023	15.78
2	A₁	3167	3007	1.75
3	A₁	3065	2910	11.94
4	A₁	2164	2055	1.52
5	A₁	1509	1433	6.76
6	A₁	1408	1336	6.30
7	A₁	1384	1314	0.01
8	A₁	1135	1077	1.44
9	A₁	1074	1020	1.01
10	A₁	764	725	0.46
11	A₁	471	447	7.39
12	A₁	94	90	1.56
13	A₂	3136	2977	0.00
14	A₂	1495	1420	0.00
15	A₂	1053	1000	0.00
16	A₂	851	808	0.00
17	A₂	539	512	0.00
18	A₂	230	218	0.00
19	A₂	153	145	0.00
20	B₁	3136	2978	22.97
21	B₁	1496	1421	11.24
22	B₁	1051	998	1.52
23	B₁	706	670	40.07
24	B₁	238	226	3.06
25	B₁	133	127	2.59
26	B₂	3184	3023	7.94
27	B₂	3167	3007	0.20
28	B₂	3065	2910	39.78
29	B₂	1697	1611	4.03
30	B₂	1497	1422	15.47
31	B₂	1404	1333	7.56
32	B₂	1283	1218	13.96
33	B₂	1109	1053	0.55
34	B₂	948	901	31.09
35	B₂	550	522	2.66
36	B₂	208	198	0.42

Atom	x (Å)	y (Å)	z (Å)
H1	0.000	2.157	1.625
H2	0.878	3.434	0.772
H3	-0.878	3.434	0.772
H4	0.000	-2.157	1.625
H5	0.878	-3.434	0.772
H6	-0.878	-3.434	0.772
C7	0.000	2.788	0.740
C8	0.000	-2.788	0.740
H9	0.000	2.480	-1.460
H10	0.000	-2.480	-1.460
C11	0.000	-0.635	-0.517
C12	0.000	0.635	-0.517
C13	0.000	1.958	-0.508
C14	0.000	-1.958	-0.508

	H1	H2	H3	H4	H5	H6	C7	C8	H9	H10	C11	C12	C13	C14
H1		1.7694	1.7694	4.3142	5.7239	5.7239	1.0868	5.0235	3.1019	5.5694	3.5194	2.6283	2.1428	4.6351
H2	1.7694		1.7559	5.7239	6.8687	7.0896	1.0908	6.2839	2.5810	6.3818	4.3578	3.2046	2.1422	5.6110
H3	1.7694	1.7559		5.7239	7.0896	6.8687	1.0908	6.2839	2.5810	6.3818	4.3578	3.2046	2.1422	5.6110
H4	4.3142	5.7239	5.7239		1.7694	1.7694	5.0235	1.0868	5.5694	3.1019	2.6283	3.5194	4.6351	2.1428
H5	5.7239	6.8687	7.0896	1.7694		1.7559	6.2839	1.0908	6.3818	2.5810	3.2046	4.3578	5.6110	2.1422
H6	5.7239	7.0896	6.8687	1.7694	1.7559		6.2839	1.0908	6.3818	2.5810	3.2046	4.3578	5.6110	2.1422
C7	1.0868	1.0908	1.0908	5.0235	6.2839	6.2839		5.5757	2.2215	5.7086	3.6464	2.4934	1.4992	4.9071
C8	5.0235	6.2839	6.2839	1.0868	1.0908	1.0908	5.5757		5.7086	2.2215	2.4934	3.6464	4.9071	1.4992
H9	3.1019	2.5810	2.5810	5.5694	6.3818	6.3818	2.2215	5.7086		4.9596	3.2541	2.0717	1.0854	4.5385
H10	5.5694	6.3818	6.3818	3.1019	2.5810	2.5810	5.7086	2.2215	4.9596		2.0717	3.2541	4.5385	1.0854
C11	3.5194	4.3578	4.3578	2.6283	3.2046	3.2046	3.6464	2.4934	3.2541	2.0717		1.2697	2.5926	1.3230
C12	2.6283	3.2046	3.2046	3.5194	4.3578	4.3578	2.4934	3.6464	2.0717	3.2541	1.2697		1.3230	2.5926
C13	2.1428	2.1422	2.1422	4.6351	5.6110	5.6110	1.4992	4.9071	1.0854	4.5385	2.5926	1.3230		3.9155
C14	4.6351	5.6110	5.6110	2.1428	2.1422	2.1422	4.9071	1.4992	4.5385	1.0854	1.3230	2.5926	3.9155

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C7	H2	108.694	H1	C7	H3	108.694
H1	C7	C13	110.904	H2	C7	H3	107.203
H2	C7	C13	110.620	H3	C7	C13	110.620
H4	C8	H5	108.694	H4	C8	H6	108.694
H4	C8	C14	110.904	H5	C8	H6	107.203
H5	C8	C14	110.620	H6	C8	C14	110.620
C7	C13	H9	117.632	C7	C13	C12	124.018
C8	C14	H10	117.632	C8	C14	C11	124.018
H9	C13	C12	118.350	H10	C14	C11	118.350
C11	C12	C13	179.602	C12	C11	C14	179.602

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

using model chemistry: MP2/cc-pVTZ

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/cc-pVTZ

States and conformations

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