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	hartrees
Energy at 0K	-232.856252
Energy at 298.15K	-232.863403
HF Energy	-231.887932
Nuclear repulsion energy	197.148255

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3283	3117	15.20
2	A₁	3219	3056	10.77
3	A₁	3196	3035	11.36
4	A₁	3180	3020	1.36
5	A₁	1693	1607	0.00
6	A₁	1613	1532	0.06
7	A₁	1440	1367	0.58
8	A₁	1344	1276	3.63
9	A₁	1277	1213	0.57
10	A₁	1099	1043	0.45
11	A₁	903	857	0.13
12	A₁	391	371	0.06
13	A₁	168	160	0.12
14	A₂	1030	978	0.00
15	A₂	960	912	0.00
16	A₂	927	880	0.00
17	A₂	727	690	0.00
18	A₂	327	310	0.00
19	A₂	148	140	0.00
20	B₁	1027	975	43.34
21	B₁	928	881	75.40
22	B₁	840	798	4.44
23	B₁	606	576	28.30
24	B₁	101	96	0.37
25	B₂	3282	3116	0.04
26	B₂	3205	3043	0.83
27	B₂	3180	3020	5.21
28	B₂	3175	3014	0.03
29	B₂	1672	1587	7.77
30	B₂	1492	1417	8.20
31	B₂	1385	1315	0.13
32	B₂	1302	1236	0.46
33	B₂	1215	1153	1.89
34	B₂	967	918	3.02
35	B₂	681	647	0.25
36	B₂	345	328	8.57

Atom	y (Å)	z (Å)
C1	0.677	0.766
C2	-0.677	0.766
C3	1.531	-0.403
C4	-1.531	-0.403
C5	2.872	-0.324
C6	-2.872	-0.324
H7	1.185	1.725
H8	-1.185	1.725
H9	1.068	-1.382
H10	-1.068	-1.382
H11	3.371	0.636
H12	-3.371	0.636
H13	3.488	-1.211
H14	-3.488	-1.211

	C1	C2	C3	C4	C5	C6	H7	H8	H9	H10	H11	H12	H13	H14
C1		1.3532	1.4487	2.4986	2.4512	3.7123	1.0846	2.0934	2.1834	2.7673	2.6976	4.0498	3.4372	4.6104
C2	1.3532		2.4986	1.4487	3.7123	2.4512	2.0934	1.0846	2.7673	2.1834	4.0498	2.6976	4.6104	3.4372
C3	1.4487	2.4986		3.0626	1.3429	4.4039	2.1561	3.4503	1.0823	2.7774	2.1129	5.0113	2.1170	5.0841
C4	2.4986	1.4487	3.0626		4.4039	1.3429	3.4503	2.1561	2.7774	1.0823	5.0113	2.1129	5.0841	2.1170
C5	2.4512	3.7123	1.3429	4.4039		5.7437	2.6543	4.5445	2.0908	4.0794	1.0820	6.3163	1.0798	6.4216
C6	3.7123	2.4512	4.4039	1.3429	5.7437		4.5445	2.6543	4.0794	2.0908	6.3163	1.0820	6.4216	1.0798
H7	1.0846	2.0934	2.1561	3.4503	2.6543	4.5445		2.3691	3.1084	3.8371	2.4427	4.6840	3.7315	5.5183
H8	2.0934	1.0846	3.4503	2.1561	4.5445	2.6543	2.3691		3.8371	3.1084	4.6840	2.4427	5.5183	3.7315
H9	2.1834	2.7673	1.0823	2.7774	2.0908	4.0794	3.1084	3.8371		2.1363	3.0616	4.8761	2.4261	4.5596
H10	2.7673	2.1834	2.7774	1.0823	4.0794	2.0908	3.8371	3.1084	2.1363		4.8761	3.0616	4.5596	2.4261
H11	2.6976	4.0498	2.1129	5.0113	1.0820	6.3163	2.4427	4.6840	3.0616	4.8761		6.7422	1.8503	7.1035
H12	4.0498	2.6976	5.0113	2.1129	6.3163	1.0820	4.6840	2.4427	4.8761	3.0616	6.7422		7.1035	1.8503
H13	3.4372	4.6104	2.1170	5.0841	1.0798	6.4216	3.7315	5.5183	2.4261	4.5596	1.8503	7.1035		6.9765
H14	4.6104	3.4372	5.0841	2.1170	6.4216	1.0798	5.5183	3.7315	4.5596	2.4261	7.1035	1.8503	6.9765

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	126.155	C1	C2	H8	117.925
C1	C3	C5	122.778	C1	C3	H9	118.508
C2	C1	C3	126.155	C2	C1	H7	117.925
C2	C4	C6	122.778	C2	C4	H10	118.508
C3	C1	H7	115.921	C3	C5	H11	120.853
C3	C5	H13	121.431	C4	C2	H8	115.921
C4	C6	H12	120.853	C4	C6	H14	121.431
C5	C3	H9	118.714	C6	C4	H10	118.714
H11	C5	H13	117.716	H12	C6	H14	117.716

All results from a given calculation for C₆H₈ ((Z)-hexa-1,3,5-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-1,3,5-triene)

using model chemistry: MP2/cc-pVTZ

States and conformations

All results from a given calculation for C₆H₈ ((Z)-hexa-1,3,5-triene)