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	hartrees
Energy at 0K	-231.841305
Energy at 298.15K	-231.848594
HF Energy	-231.841305
Nuclear repulsion energy	196.942208

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3267	3147	22.04
2	A₁	3205	3088	19.84
3	A₁	3190	3073	4.15
4	A₁	3175	3058	1.78
5	A₁	1710	1647	0.01
6	A₁	1653	1592	0.01
7	A₁	1487	1432	0.18
8	A₁	1394	1342	3.95
9	A₁	1331	1283	0.74
10	A₁	1138	1097	2.50
11	A₁	910	876	0.16
12	A₁	412	397	0.00
13	A₁	172	166	0.02
14	A₂	1058	1019	0.00
15	A₂	1012	975	0.00
16	A₂	962	926	0.00
17	A₂	749	721	0.00
18	A₂	334	322	0.00
19	A₂	153	148	0.00
20	B₁	1048	1010	37.26
21	B₁	969	933	149.53
22	B₁	859	828	3.12
23	B₁	611	589	40.69
24	B₁	103	100	0.39
25	B₂	3266	3146	0.24
26	B₂	3190	3073	0.54
27	B₂	3175	3059	5.57
28	B₂	3168	3052	0.20
29	B₂	1703	1641	9.28
30	B₂	1530	1474	10.21
31	B₂	1437	1385	0.30
32	B₂	1352	1303	0.28
33	B₂	1243	1197	3.61
34	B₂	994	958	5.73
35	B₂	716	689	0.27
36	B₂	364	350	10.45

Atom	y (Å)	z (Å)
C1	0.675	0.766
C2	-0.675	0.766
C3	1.537	-0.401
C4	-1.537	-0.401
C5	2.875	-0.326
C6	-2.875	-0.326
H7	1.189	1.726
H8	-1.189	1.726
H9	1.063	-1.379
H10	-1.063	-1.379
H11	3.388	0.632
H12	-3.388	0.632
H13	3.497	-1.214
H14	-3.497	-1.214

	C1	C2	C3	C4	C5	C6	H7	H8	H9	H10	H11	H12	H13	H14
C1		1.3509	1.4504	2.5013	2.4556	3.7144	1.0885	2.0967	2.1798	2.7611	2.7158	4.0656	3.4472	4.6186
C2	1.3509		2.5013	1.4504	3.7144	2.4556	2.0967	1.0885	2.7611	2.1798	4.0656	2.7158	4.6186	3.4472
C3	1.4504	2.5013		3.0742	1.3397	4.4125	2.1550	3.4572	1.0871	2.7782	2.1194	5.0321	2.1221	5.0995
C4	2.5013	1.4504	3.0742		4.4125	1.3397	3.4572	2.1550	2.7782	1.0871	5.0321	2.1194	5.0995	2.1221
C5	2.4556	3.7144	1.3397	4.4125		5.7495	2.6561	4.5522	2.0953	4.0761	1.0869	6.3355	1.0845	6.4333
C6	3.7144	2.4556	4.4125	1.3397	5.7495		4.5522	2.6561	4.0761	2.0953	6.3355	1.0869	6.4333	1.0845
H7	1.0885	2.0967	2.1550	3.4572	2.6561	4.5522		2.3771	3.1075	3.8355	2.4565	4.7055	3.7383	5.5318
H8	2.0967	1.0885	3.4572	2.1550	4.5522	2.6561	2.3771		3.8355	3.1075	4.7055	2.4565	5.5318	3.7383
H9	2.1798	2.7611	1.0871	2.7782	2.0953	4.0761	3.1075	3.8355		2.1262	3.0739	4.8842	2.4395	4.5631
H10	2.7611	2.1798	2.7782	1.0871	4.0761	2.0953	3.8355	3.1075	2.1262		4.8842	3.0739	4.5631	2.4395
H11	2.7158	4.0656	2.1194	5.0321	1.0869	6.3355	2.4565	4.7055	3.0739	4.8842		6.7759	1.8495	7.1282
H12	4.0656	2.7158	5.0321	2.1194	6.3355	1.0869	4.7055	2.4565	4.8842	3.0739	6.7759		7.1282	1.8495
H13	3.4472	4.6186	2.1221	5.0995	1.0845	6.4333	3.7383	5.5318	2.4395	4.5631	1.8495	7.1282		6.9940
H14	4.6186	3.4472	5.0995	2.1221	6.4333	1.0845	5.5318	3.7383	4.5631	2.4395	7.1282	1.8495	6.9940

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	126.448	C1	C2	H8	118.126
C1	C3	C5	123.265	C1	C3	H9	117.701
C2	C1	C3	126.448	C2	C1	H7	118.126
C2	C4	C6	123.265	C2	C4	H10	117.701
C3	C1	H7	115.426	C3	C5	H11	121.358
C3	C5	H13	121.833	C4	C2	H8	115.426
C4	C6	H12	121.358	C4	C6	H14	121.833
C5	C3	H9	119.034	C6	C4	H10	119.034
H11	C5	H13	116.808	H12	C6	H14	116.808

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

using model chemistry: HSEh1PBE/3-21G

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: HSEh1PBE/3-21G

States and conformations

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