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	hartrees
Energy at 0K	-232.559790
Energy at 298.15K	-232.566851
HF Energy	-231.802282
Nuclear repulsion energy	196.269142

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3306	3117	23.07
2	A₁	3235	3051	15.12
3	A₁	3211	3028	11.16
4	A₁	3207	3024	7.77
5	A₁	1730	1631	0.02
6	A₁	1644	1550	0.00
7	A₁	1471	1387	0.25
8	A₁	1378	1300	3.36
9	A₁	1321	1245	0.57
10	A₁	1128	1064	1.03
11	A₁	916	864	0.00
12	A₁	397	375	0.03
13	A₁	173	163	0.06
14	A₂	1020	962	0.00
15	A₂	938	884	0.00
16	A₂	907	856	0.00
17	A₂	712	671	0.00
18	A₂	321	303	0.00
19	A₂	131	123	0.00
20	B₁	1023	965	46.75
21	B₁	910	858	75.97
22	B₁	833	786	8.13
23	B₁	598	564	25.76
24	B₁	95	89	0.17
25	B₂	3306	3117	0.24
26	B₂	3221	3038	1.15
27	B₂	3208	3026	5.03
28	B₂	3188	3006	0.14
29	B₂	1705	1608	3.10
30	B₂	1527	1440	6.53
31	B₂	1418	1337	0.01
32	B₂	1336	1260	0.78
33	B₂	1244	1173	1.87
34	B₂	987	931	3.38
35	B₂	693	654	0.40
36	B₂	354	334	8.29

Atom	y (Å)	z (Å)
C1	0.677	0.762
C2	-0.677	0.762
C3	1.549	-0.407
C4	-1.549	-0.407
C5	2.892	-0.317
C6	-2.892	-0.317
H7	1.191	1.724
H8	-1.191	1.724
H9	1.085	-1.392
H10	-1.085	-1.392
H11	3.400	0.645
H12	-3.400	0.645
H13	3.525	-1.200
H14	-3.525	-1.200

	C1	C2	C3	C4	C5	C6	H7	H8	H9	H10	H11	H12	H13	H14
C1		1.3548	1.4582	2.5149	2.4638	3.7293	1.0910	2.1020	2.1914	2.7823	2.7255	4.0795	3.4573	4.6372
C2	1.3548		2.5149	1.4582	3.7293	2.4638	2.1020	1.0910	2.7823	2.1914	4.0795	2.7255	4.6372	3.4573
C3	1.4582	2.5149		3.0988	1.3461	4.4428	2.1609	3.4718	1.0887	2.8120	2.1290	5.0603	2.1283	5.1356
C4	2.5149	1.4582	3.0988		4.4428	1.3461	3.4718	2.1609	2.8120	1.0887	5.0603	2.1290	5.1356	2.1283
C5	2.4638	3.7293	1.3461	4.4428		5.7850	2.6569	4.5654	2.1031	4.1198	1.0875	6.3660	1.0856	6.4776
C6	3.7293	2.4638	4.4428	1.3461	5.7850		4.5654	2.6569	4.1198	2.1031	6.3660	1.0875	6.4776	1.0856
H7	1.0910	2.1020	2.1609	3.4718	2.6569	4.5654		2.3827	3.1174	3.8584	2.4586	4.7169	3.7404	5.5486
H8	2.1020	1.0910	3.4718	2.1609	4.5654	2.6569	2.3827		3.8584	3.1174	4.7169	2.4586	5.5486	3.7404
H9	2.1914	2.7823	1.0887	2.8120	2.1031	4.1198	3.1174	3.8584		2.1693	3.0837	4.9257	2.4476	4.6133
H10	2.7823	2.1914	2.8120	1.0887	4.1198	2.1031	3.8584	3.1174	2.1693		4.9257	3.0837	4.6133	2.4476
H11	2.7255	4.0795	2.1290	5.0603	1.0875	6.3660	2.4586	4.7169	3.0837	4.9257		6.8008	1.8483	7.1664
H12	4.0795	2.7255	5.0603	2.1290	6.3660	1.0875	4.7169	2.4586	4.9257	3.0837	6.8008		7.1664	1.8483
H13	3.4573	4.6372	2.1283	5.1356	1.0856	6.4776	3.7404	5.5486	2.4476	4.6133	1.8483	7.1664		7.0494
H14	4.6372	3.4573	5.1356	2.1283	6.4776	1.0856	5.5486	3.7404	4.6133	2.4476	7.1664	1.8483	7.0494

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	126.726	C1	C2	H8	118.107
C1	C3	C5	122.887	C1	C3	H9	118.004
C2	C1	C3	126.726	C2	C1	H7	118.107
C2	C4	C6	122.887	C2	C4	H10	118.004
C3	C1	H7	115.166	C3	C5	H11	121.681
C3	C5	H13	121.779	C4	C2	H8	115.166
C4	C6	H12	121.681	C4	C6	H14	121.779
C5	C3	H9	119.109	C6	C4	H10	119.109
H11	C5	H13	116.540	H12	C6	H14	116.540

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

using model chemistry: MP2/6-31G*

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: MP2/6-31G*

States and conformations

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