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	hartrees
Energy at 0K	-232.623589
Energy at 298.15K	-232.630680
HF Energy	-231.823194
Nuclear repulsion energy	195.170989

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3297	3141	18.17
2	A₁	3226	3072	13.53
3	A₁	3203	3051	14.05
4	A₁	3188	3036	1.26
5	A₁	1705	1624	0.02
6	A₁	1618	1541	0.04
7	A₁	1431	1363	0.42
8	A₁	1335	1271	3.46
9	A₁	1277	1216	0.58
10	A₁	1095	1043	0.63
11	A₁	903	860	0.04
12	A₁	390	371	0.05
13	A₁	166	159	0.07
14	A₂	1024	976	0.00
15	A₂	949	904	0.00
16	A₂	910	867	0.00
17	A₂	714	680	0.00
18	A₂	321	306	0.00
19	A₂	143	137	0.00
20	B₁	1019	971	40.62
21	B₁	911	868	62.18
22	B₁	834	795	5.55
23	B₁	600	571	23.32
24	B₁	99	95	0.25
25	B₂	3297	3140	0.09
26	B₂	3212	3059	0.57
27	B₂	3188	3036	5.17
28	B₂	3181	3030	0.01
29	B₂	1680	1600	4.26
30	B₂	1486	1415	6.94
31	B₂	1377	1312	0.10
32	B₂	1295	1234	1.02
33	B₂	1213	1155	1.82
34	B₂	966	920	2.88
35	B₂	681	649	0.29
36	B₂	346	330	8.07

Atom	y (Å)	z (Å)
C1	0.683	0.768
C2	-0.683	0.768
C3	1.549	-0.407
C4	-1.549	-0.407
C5	2.903	-0.323
C6	-2.903	-0.323
H7	1.194	1.740
H8	-1.194	1.740
H9	1.084	-1.400
H10	-1.084	-1.400
H11	3.406	0.651
H12	-3.406	0.651
H13	3.529	-1.219
H14	-3.529	-1.219

	C1	C2	C3	C4	C5	C6	H7	H8	H9	H10	H11	H12	H13	H14
C1		1.3662	1.4603	2.5231	2.4731	3.7480	1.0983	2.1140	2.2048	2.7969	2.7259	4.0912	3.4713	4.6576
C2	1.3662		2.5231	1.4603	3.7480	2.4731	2.1140	1.0983	2.7969	2.2048	4.0912	2.7259	4.6576	3.4713
C3	1.4603	2.5231		3.0987	1.3559	4.4527	2.1770	3.4842	1.0962	2.8140	2.1373	5.0675	2.1398	5.1431
C4	2.5231	1.4603	3.0987		4.4527	1.3559	3.4842	2.1770	2.8140	1.0962	5.0675	2.1373	5.1431	2.1398
C5	2.4731	3.7480	1.3559	4.4527		5.8052	2.6786	4.5869	2.1138	4.1294	1.0959	6.3836	1.0937	6.4940
C6	3.7480	2.4731	4.4527	1.3559	5.8052		4.5869	2.6786	4.1294	2.1138	6.3836	1.0959	6.4940	1.0937
H7	1.0983	2.1140	2.1770	3.4842	2.6786	4.5869		2.3883	3.1422	3.8795	2.4662	4.7279	3.7697	5.5739
H8	2.1140	1.0983	3.4842	2.1770	4.5869	2.6786	2.3883		3.8795	3.1422	4.7279	2.4662	5.5739	3.7697
H9	2.2048	2.7969	1.0962	2.8140	2.1138	4.1294	3.1422	3.8795		2.1677	3.0981	4.9363	2.4521	4.6167
H10	2.7969	2.2048	2.8140	1.0962	4.1294	2.1138	3.8795	3.1422	2.1677		4.9363	3.0981	4.6167	2.4521
H11	2.7259	4.0912	2.1373	5.0675	1.0959	6.3836	2.4662	4.7279	3.0981	4.9363		6.8129	1.8736	7.1833
H12	4.0912	2.7259	5.0675	2.1373	6.3836	1.0959	4.7279	2.4662	4.9363	3.0981	6.8129		7.1833	1.8736
H13	3.4713	4.6576	2.1398	5.1431	1.0937	6.4940	3.7697	5.5739	2.4521	4.6167	1.8736	7.1833		7.0586
H14	4.6576	3.4713	5.1431	2.1398	6.4940	1.0937	5.5739	3.7697	4.6167	2.4521	7.1833	1.8736	7.0586

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	126.385	C1	C2	H8	117.730
C1	C3	C5	122.802	C1	C3	H9	118.487
C2	C1	C3	126.385	C2	C1	H7	117.730
C2	C4	C6	122.802	C2	C4	H10	118.487
C3	C1	H7	115.886	C3	C5	H11	120.952
C3	C5	H13	121.380	C4	C2	H8	115.886
C4	C6	H12	120.952	C4	C6	H14	121.380
C5	C3	H9	118.711	C6	C4	H10	118.711
H11	C5	H13	117.668	H12	C6	H14	117.668

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

using model chemistry: MP2/cc-pVDZ

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-pVDZ

States and conformations

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