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	hartrees
Energy at 0K	-231.819278
Energy at 298.15K	-231.826778
Nuclear repulsion energy	197.495785

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3399	3068	46.71
2	A₁	3357	3030	15.28
3	A₁	3336	3011	22.26
4	A₁	3311	2988	1.52
5	A₁	1897	1712	0.03
6	A₁	1790	1616	0.16
7	A₁	1562	1410	0.55
8	A₁	1462	1320	1.65
9	A₁	1392	1257	0.32
10	A₁	1185	1070	0.22
11	A₁	949	857	0.05
12	A₁	420	379	0.07
13	A₁	181	163	0.11
14	A₂	1149	1037	0.00
15	A₂	1105	998	0.00
16	A₂	1066	962	0.00
17	A₂	800	722	0.00
18	A₂	370	334	0.00
19	A₂	139	126	0.00
20	B₁	1133	1022	22.38
21	B₁	1070	966	113.39
22	B₁	927	837	5.75
23	B₁	655	591	29.07
24	B₁	98	88	0.08
25	B₂	3398	3067	0.85
26	B₂	3338	3013	0.96
27	B₂	3314	2992	11.30
28	B₂	3308	2985	9.03
29	B₂	1857	1676	12.52
30	B₂	1614	1457	11.79
31	B₂	1507	1360	1.48
32	B₂	1421	1282	4.25
33	B₂	1300	1174	1.74
34	B₂	1030	930	5.11
35	B₂	731	660	0.82
36	B₂	378	341	14.91

Atom	y (Å)	z (Å)
C1	0.666	0.760
C2	-0.666	0.760
C3	1.553	-0.407
C4	-1.553	-0.407
C5	2.873	-0.316
C6	-2.873	-0.316
H7	1.166	1.715
H8	-1.166	1.715
H9	1.102	-1.384
H10	-1.102	-1.384
H11	3.374	0.637
H12	-3.374	0.637
H13	3.497	-1.191
H14	-3.497	-1.191

	C1	C2	C3	C4	C5	C6	H7	H8	H9	H10	H11	H12	H13	H14
C1		1.3314	1.4656	2.5064	2.4551	3.6983	1.0780	2.0654	2.1880	2.7787	2.7115	4.0419	3.4383	4.5972
C2	1.3314		2.5064	1.4656	3.6983	2.4551	2.0654	1.0780	2.7787	2.1880	4.0419	2.7115	4.5972	3.4383
C3	1.4656	2.5064		3.1051	1.3235	4.4263	2.1569	3.4483	1.0762	2.8285	2.1001	5.0365	2.0967	5.1103
C4	2.5064	1.4656	3.1051		4.4263	1.3235	3.4483	2.1569	2.8285	1.0762	5.0365	2.1001	5.1103	2.0967
C5	2.4551	3.6983	1.3235	4.4263		5.7457	2.6527	4.5201	2.0686	4.1158	1.0769	6.3195	1.0751	6.4300
C6	3.6983	2.4551	4.4263	1.3235	5.7457		4.5201	2.6527	4.1158	2.0686	6.3195	1.0769	6.4300	1.0751
H7	1.0780	2.0654	2.1569	3.4483	2.6527	4.5201		2.3312	3.0998	3.8400	2.4575	4.6661	3.7254	5.4940
H8	2.0654	1.0780	3.4483	2.1569	4.5201	2.6527	2.3312		3.8400	3.0998	4.6661	2.4575	5.4940	3.7254
H9	2.1880	2.7787	1.0762	2.8285	2.0686	4.1158	3.0998	3.8400		2.2035	3.0418	4.9116	2.4034	4.6031
H10	2.7787	2.1880	2.8285	1.0762	4.1158	2.0686	3.8400	3.0998	2.2035		4.9116	3.0418	4.6031	2.4034
H11	2.7115	4.0419	2.1001	5.0365	1.0769	6.3195	2.4575	4.6661	3.0418	4.9116		6.7488	1.8322	7.1107
H12	4.0419	2.7115	5.0365	2.1001	6.3195	1.0769	4.6661	2.4575	4.9116	3.0418	6.7488		7.1107	1.8322
H13	3.4383	4.5972	2.0967	5.1103	1.0751	6.4300	3.7254	5.4940	2.4034	4.6031	1.8322	7.1107		6.9946
H14	4.5972	3.4383	5.1103	2.0967	6.4300	1.0751	5.4940	3.7254	4.6031	2.4034	7.1107	1.8322	6.9946

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	127.237	C1	C2	H8	117.630
C1	C3	C5	123.270	C1	C3	H9	118.002
C2	C1	C3	127.237	C2	C1	H7	117.630
C2	C4	C6	123.270	C2	C4	H10	118.002
C3	C1	H7	115.133	C3	C5	H11	121.726
C3	C5	H13	121.545	C4	C2	H8	115.133
C4	C6	H12	121.726	C4	C6	H14	121.545
C5	C3	H9	118.728	C6	C4	H10	118.728
H11	C5	H13	116.729	H12	C6	H14	116.729

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

using model chemistry: HF/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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Number	Element	Mulliken	CHELPG
1	C	-0.140	-0.154
2	C	-0.140	-0.154
3	C	-0.096	0.075
4	C	-0.096	0.075
5	C	-0.297	-0.477
6	C	-0.297	-0.477
7	H	0.138	0.110
8	H	0.138	0.110
9	H	0.134	0.085
10	H	0.134	0.085
11	H	0.127	0.194
12	H	0.127	0.194
13	H	0.132	0.168
14	H	0.132	0.168

<r²>	231.729
(<r²>)^1/2	15.223

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

using model chemistry: HF/6-31G**

States and conformations

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