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	hartrees
Energy at 0K	-37.954676
Energy at 298.15K	-37.960911
HF Energy	-37.430281
Nuclear repulsion energy	102.097678

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3196	3120	60.78
2	A₁	3127	3052	26.42
3	A₁	3106	3032	31.51
4	A₁	3083	3009	3.62
5	A₁	1652	1612	0.01
6	A₁	1569	1531	0.03
7	A₁	1433	1399	0.39
8	A₁	1352	1319	3.29
9	A₁	1294	1263	1.09
10	A₁	1100	1073	1.42
11	A₁	877	856	0.01
12	A₁	386	377	0.01
13	A₁	164	160	0.03
14	A₂	937	915	0.00
15	A₂	765	747	0.00
16	A₂	741	723	0.00
17	A₂	476	465	0.00
18	A₂	149	145	0.00
19	A₂	47	45	0.00
20	B₁	957	934	72.04
21	B₁	782	763	50.22
22	B₁	702	685	54.58
23	B₁	516	503	31.97
24	B₁	82	80	0.01
25	B₂	3196	3119	1.19
26	B₂	3111	3036	0.08
27	B₂	3082	3008	29.75
28	B₂	3079	3005	0.05
29	B₂	1623	1584	8.43
30	B₂	1495	1459	5.09
31	B₂	1384	1351	0.20
32	B₂	1313	1282	0.01
33	B₂	1210	1181	1.98
34	B₂	959	936	3.16
35	B₂	674	658	0.39
36	B₂	343	334	6.11

Atom	y (Å)	z (Å)
C1	0.693	0.795
C2	-0.693	0.795
C3	1.570	-0.408
C4	-1.570	-0.408
C5	2.944	-0.330
C6	-2.944	-0.330
H7	1.208	1.765
H8	-1.208	1.765
H9	1.101	-1.399
H10	-1.101	-1.399
H11	3.461	0.636
H12	-3.461	0.636
H13	3.567	-1.228
H14	-3.567	-1.228

	C1	C2	C3	C4	C5	C6	H7	H8	H9	H10	H11	H12	H13	H14
C1		1.3853	1.4890	2.5625	2.5170	3.8070	1.0983	2.1338	2.2313	2.8335	2.7733	4.1571	3.5151	4.7159
C2	1.3853		2.5625	1.4890	3.8070	2.5170	2.1338	1.0983	2.8335	2.2313	4.1571	2.7733	4.7159	3.5151
C3	1.4890	2.5625		3.1397	1.3767	4.5148	2.2032	3.5268	1.0959	2.8483	2.1606	5.1384	2.1592	5.2022
C4	2.5625	1.4890	3.1397		4.5148	1.3767	3.5268	2.2032	2.8483	1.0959	5.1384	2.1606	5.2022	2.1592
C5	2.5170	3.8070	1.3767	4.5148		5.8886	2.7211	4.6508	2.1309	4.1838	1.0957	6.4781	1.0928	6.5733
C6	3.8070	2.5170	4.5148	1.3767	5.8886		4.6508	2.7211	4.1838	2.1309	6.4781	1.0957	6.5733	1.0928
H7	1.0983	2.1338	2.2032	3.5268	2.7211	4.6508		2.4157	3.1655	3.9165	2.5206	4.8038	3.8111	5.6356
H8	2.1338	1.0983	3.5268	2.2032	4.6508	2.7211	2.4157		3.9165	3.1655	4.8038	2.5206	5.6356	3.8111
H9	2.2313	2.8335	1.0959	2.8483	2.1309	4.1838	3.1655	3.9165		2.2015	3.1165	4.9953	2.4726	4.6713
H10	2.8335	2.2313	2.8483	1.0959	4.1838	2.1309	3.9165	3.1655	2.2015		4.9953	3.1165	4.6713	2.4726
H11	2.7733	4.1571	2.1606	5.1384	1.0957	6.4781	2.5206	4.8038	3.1165	4.9953		6.9228	1.8667	7.2717
H12	4.1571	2.7733	5.1384	2.1606	6.4781	1.0957	4.8038	2.5206	4.9953	3.1165	6.9228		7.2717	1.8667
H13	3.5151	4.7159	2.1592	5.2022	1.0928	6.5733	3.8111	5.6356	2.4726	4.6713	1.8667	7.2717		7.1349
H14	4.7159	3.5151	5.2022	2.1592	6.5733	1.0928	5.6356	3.8111	4.6713	2.4726	7.2717	1.8667	7.1349

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	126.093	C1	C2	H8	117.975
C1	C3	C5	122.838	C1	C3	H9	118.565
C2	C1	C3	126.093	C2	C1	H7	117.975
C2	C4	C6	122.838	C2	C4	H10	118.565
C3	C1	H7	115.932	C3	C5	H11	121.417
C3	C5	H13	121.512	C4	C2	H8	115.932
C4	C6	H12	121.417	C4	C6	H14	121.512
C5	C3	H9	118.597	C6	C4	H10	118.597
H11	C5	H13	117.071	H12	C6	H14	117.071

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

using model chemistry: MP2/CEP-121G

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-121G

States and conformations

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