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	hartrees
Energy at 0K	-232.632527
Energy at 298.15K	-232.639637
HF Energy	-231.803417
Nuclear repulsion energy	196.419399

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3297	3093	29.07
2	A₁	3237	3037	16.23
3	A₁	3216	3018	18.59
4	A₁	3209	3011	1.20
5	A₁	1778	1668	0.01
6	A₁	1687	1583	0.02
7	A₁	1483	1391	0.33
8	A₁	1389	1304	2.65
9	A₁	1330	1248	0.49
10	A₁	1135	1065	0.72
11	A₁	916	860	0.00
12	A₁	402	377	0.05
13	A₁	175	164	0.07
14	A₂	1030	966	0.00
15	A₂	963	903	0.00
16	A₂	927	870	0.00
17	A₂	722	677	0.00
18	A₂	330	309	0.00
19	A₂	129	121	0.00
20	B₁	1028	964	42.04
21	B₁	928	871	82.08
22	B₁	843	791	7.48
23	B₁	600	563	26.56
24	B₁	93	87	0.12
25	B₂	3296	3093	0.39
26	B₂	3223	3024	0.36
27	B₂	3208	3010	8.74
28	B₂	3195	2998	0.12
29	B₂	1745	1638	4.44
30	B₂	1534	1439	8.40
31	B₂	1431	1342	0.00
32	B₂	1347	1263	1.29
33	B₂	1247	1170	1.36
34	B₂	989	928	3.20
35	B₂	698	655	0.60
36	B₂	358	336	7.83

Atom	y (Å)	z (Å)
C1	0.674	0.764
C2	-0.674	0.764
C3	1.550	-0.408
C4	-1.550	-0.408
C5	2.888	-0.318
C6	-2.888	-0.318
H7	1.188	1.725
H8	-1.188	1.725
H9	1.085	-1.392
H10	-1.085	-1.392
H11	3.397	0.643
H12	-3.397	0.643
H13	3.521	-1.200
H14	-3.521	-1.200

	C1	C2	C3	C4	C5	C6	H7	H8	H9	H10	H11	H12	H13	H14
C1		1.3483	1.4632	2.5142	2.4639	3.7226	1.0899	2.0953	2.1946	2.7824	2.7256	4.0730	3.4580	4.6315
C2	1.3483		2.5142	1.4632	3.7226	2.4639	2.0953	1.0899	2.7824	2.1946	4.0730	2.7256	4.6315	3.4580
C3	1.4632	2.5142		3.1003	1.3408	4.4390	2.1640	3.4708	1.0882	2.8128	2.1252	5.0577	2.1234	5.1321
C4	2.5142	1.4632	3.1003		4.4390	1.3408	3.4708	2.1640	2.8128	1.0882	5.0577	2.1252	5.1321	2.1234
C5	2.4639	3.7226	1.3408	4.4390		5.7758	2.6580	4.5589	2.0987	4.1155	1.0875	6.3580	1.0854	6.4688
C6	3.7226	2.4639	4.4390	1.3408	5.7758		4.5589	2.6580	4.1155	2.0987	6.3580	1.0875	6.4688	1.0854
H7	1.0899	2.0953	2.1640	3.4708	2.6580	4.5589		2.3751	3.1189	3.8576	2.4603	4.7106	3.7414	5.5427
H8	2.0953	1.0899	3.4708	2.1640	4.5589	2.6580	2.3751		3.8576	3.1189	4.7106	2.4603	5.5427	3.7414
H9	2.1946	2.7824	1.0882	2.8128	2.0987	4.1155	3.1189	3.8576		2.1699	3.0802	4.9225	2.4431	4.6095
H10	2.7824	2.1946	2.8128	1.0882	4.1155	2.0987	3.8576	3.1189	2.1699		4.9225	3.0802	4.6095	2.4431
H11	2.7256	4.0730	2.1252	5.0577	1.0875	6.3580	2.4603	4.7106	3.0802	4.9225		6.7942	1.8470	7.1589
H12	4.0730	2.7256	5.0577	2.1252	6.3580	1.0875	4.7106	2.4603	4.9225	3.0802	6.7942		7.1589	1.8470
H13	3.4580	4.6315	2.1234	5.1321	1.0854	6.4688	3.7414	5.5427	2.4431	4.6095	1.8470	7.1589		7.0410
H14	4.6315	3.4580	5.1321	2.1234	6.4688	1.0854	5.5427	3.7414	4.6095	2.4431	7.1589	1.8470	7.0410

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	126.776	C1	C2	H8	118.103
C1	C3	C5	122.912	C1	C3	H9	117.916
C2	C1	C3	126.776	C2	C1	H7	118.103
C2	C4	C6	122.912	C2	C4	H10	117.916
C3	C1	H7	115.120	C3	C5	H11	121.785
C3	C5	H13	121.786	C4	C2	H8	115.120
C4	C6	H12	121.785	C4	C6	H14	121.786
C5	C3	H9	119.173	C6	C4	H10	119.173
H11	C5	H13	116.429	H12	C6	H14	116.429

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

using model chemistry: MP3=FULL/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-1,3,5-triene)

using model chemistry: MP3=FULL/6-31G*

States and conformations

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