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	hartrees
Energy at 0K	-38.217225
Energy at 298.15K	-38.224280
HF Energy	-37.505747
Nuclear repulsion energy	102.514206

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3287	3121	42.62
2	A₁	3230	3067	15.07
3	A₁	3201	3039	22.93
4	A₁	3185	3024	1.86
5	A₁	1714	1627	0.03
6	A₁	1621	1539	0.03
7	A₁	1440	1367	0.63
8	A₁	1348	1280	3.16
9	A₁	1290	1224	0.64
10	A₁	1096	1041	1.77
11	A₁	899	853	0.00
12	A₁	385	366	0.04
13	A₁	169	160	0.05
14	A₂	1028	976	0.00
15	A₂	942	894	0.00
16	A₂	830	788	0.00
17	A₂	710	674	0.00
18	A₂	335	318	0.00
19	A₂	156	148	0.00
20	B₁	1032	980	92.26
21	B₁	855	812	38.68
22	B₁	835	792	88.11
23	B₁	611	580	48.97
24	B₁	111	105	0.29
25	B₂	3286	3120	0.34
26	B₂	3215	3053	2.35
27	B₂	3184	3022	14.39
28	B₂	3169	3008	0.01
29	B₂	1682	1597	7.43
30	B₂	1499	1423	6.33
31	B₂	1383	1313	0.01
32	B₂	1303	1237	0.52
33	B₂	1225	1163	1.54
34	B₂	959	910	4.21
35	B₂	672	638	0.51
36	B₂	346	328	9.36

Atom	y (Å)	z (Å)
C1	0.691	0.781
C2	-0.691	0.781
C3	1.559	-0.412
C4	-1.559	-0.412
C5	2.932	-0.317
C6	-2.932	-0.317
H7	1.209	1.749
H8	-1.209	1.749
H9	1.096	-1.405
H10	-1.096	-1.405
H11	3.430	0.659
H12	-3.430	0.659
H13	3.566	-1.210
H14	-3.566	-1.210

	C1	C2	C3	C4	C5	C6	H7	H8	H9	H10	H11	H12	H13	H14
C1		1.3830	1.4746	2.5468	2.4946	3.7857	1.0982	2.1333	2.2230	2.8239	2.7410	4.1231	3.4966	4.7000
C2	1.3830		2.5468	1.4746	3.7857	2.4946	2.1333	1.0982	2.8239	2.2230	4.1231	2.7410	4.7000	3.4966
C3	1.4746	2.5468		3.1178	1.3759	4.4915	2.1890	3.5118	1.0958	2.8351	2.1558	5.1024	2.1601	5.1868
C4	2.5468	1.4746	3.1178		4.4915	1.3759	3.5118	2.1890	2.8351	1.0958	5.1024	2.1558	5.1868	2.1601
C5	2.4946	3.7857	1.3759	4.4915		5.8631	2.6901	4.6278	2.1333	4.1723	1.0964	6.4359	1.0954	6.5587
C6	3.7857	2.4946	4.4915	1.3759	5.8631		4.6278	2.6901	4.1723	2.1333	6.4359	1.0964	6.5587	1.0954
H7	1.0982	2.1333	2.1890	3.5118	2.6901	4.6278		2.4186	3.1563	3.9072	2.4736	4.7654	3.7831	5.6180
H8	2.1333	1.0982	3.5118	2.1890	4.6278	2.6901	2.4186		3.9072	3.1563	4.7654	2.4736	5.6180	3.7831
H9	2.2230	2.8239	1.0958	2.8351	2.1333	4.1723	3.1563	3.9072		2.1928	3.1156	4.9748	2.4773	4.6665
H10	2.8239	2.2230	2.8351	1.0958	4.1723	2.1333	3.9072	3.1563	2.1928		4.9748	3.1156	4.6665	2.4773
H11	2.7410	4.1231	2.1558	5.1024	1.0964	6.4359	2.4736	4.7654	3.1156	4.9748		6.8597	1.8745	7.2414
H12	4.1231	2.7410	5.1024	2.1558	6.4359	1.0964	4.7654	2.4736	4.9748	3.1156	6.8597		7.2414	1.8745
H13	3.4966	4.7000	2.1601	5.1868	1.0954	6.5587	3.7831	5.6180	2.4773	4.6665	1.8745	7.2414		7.1321
H14	4.7000	3.4966	5.1868	2.1601	6.5587	1.0954	5.6180	3.7831	4.6665	2.4773	7.2414	1.8745	7.1321

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	126.034	C1	C2	H8	118.130
C1	C3	C5	122.095	C1	C3	H9	119.000
C2	C1	C3	126.034	C2	C1	H7	118.130
C2	C4	C6	122.095	C2	C4	H10	119.000
C3	C1	H7	115.837	C3	C5	H11	120.970
C3	C5	H13	121.460	C4	C2	H8	115.837
C4	C6	H12	120.970	C4	C6	H14	121.460
C5	C3	H9	118.904	C6	C4	H10	118.904
H11	C5	H13	117.570	H12	C6	H14	117.570

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

using model chemistry: MP2/CEP-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-1,3,5-triene)

using model chemistry: MP2/CEP-31G*

States and conformations

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