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	hartrees
Energy at 0K	-231.805089
Energy at 298.15K	-231.812579
HF Energy	-231.805089
Nuclear repulsion energy	197.463089

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3417	3070	49.08
2	A₁	3375	3033	15.07
3	A₁	3354	3014	24.12
4	A₁	3333	2994	1.30
5	A₁	1900	1707	0.02
6	A₁	1793	1611	0.13
7	A₁	1572	1412	0.58
8	A₁	1470	1321	1.50
9	A₁	1400	1258	0.33
10	A₁	1190	1069	0.24
11	A₁	951	854	0.04
12	A₁	420	378	0.07
13	A₁	181	163	0.10
14	A₂	1153	1036	0.00
15	A₂	1108	996	0.00
16	A₂	1067	959	0.00
17	A₂	802	720	0.00
18	A₂	370	332	0.00
19	A₂	141	127	0.00
20	B₁	1136	1021	24.20
21	B₁	1071	962	115.35
22	B₁	930	836	5.89
23	B₁	656	590	29.93
24	B₁	98	88	0.08
25	B₂	3416	3069	0.99
26	B₂	3356	3015	0.70
27	B₂	3334	2996	22.30
28	B₂	3327	2989	4.20
29	B₂	1860	1671	11.64
30	B₂	1624	1459	10.57
31	B₂	1515	1362	2.39
32	B₂	1429	1284	4.60
33	B₂	1305	1173	1.65
34	B₂	1034	929	4.98
35	B₂	732	657	0.77
36	B₂	378	339	14.80

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	2.874	-0.315
C6	-2.874	-0.315
H7	1.166	1.714
H8	-1.166	1.714
H9	1.102	-1.384
H10	-1.102	-1.384
H11	3.376	0.637
H12	-3.376	0.637
H13	3.500	-1.189
H14	-3.500	-1.189

	C1	C2	C3	C4	C5	C6	H7	H8	H9	H10	H11	H12	H13	H14
C1		1.3317	1.4659	2.5071	2.4558	3.6993	1.0775	2.0656	2.1873	2.7784	2.7133	4.0441	3.4392	4.5988
C2	1.3317		2.5071	1.4659	3.6993	2.4558	2.0656	1.0775	2.7784	2.1873	4.0441	2.7133	4.5988	3.4392
C3	1.4659	2.5071		3.1063	1.3238	4.4279	2.1561	3.4487	1.0757	2.8292	2.1009	5.0388	2.0977	5.1129
C4	2.5071	1.4659	3.1063		4.4279	1.3238	3.4487	2.1561	2.8292	1.0757	5.0388	2.1009	5.1129	2.0977
C5	2.4558	3.6993	1.3238	4.4279		5.7477	2.6522	4.5210	2.0689	4.1170	1.0766	6.3223	1.0748	6.4331
C6	3.6993	2.4558	4.4279	1.3238	5.7477		4.5210	2.6522	4.1170	2.0689	6.3223	1.0766	6.4331	1.0748
H7	1.0775	2.0656	2.1561	3.4487	2.6522	4.5210		2.3323	3.0983	3.8393	2.4588	4.6685	3.7247	5.4952
H8	2.0656	1.0775	3.4487	2.1561	4.5210	2.6522	2.3323		3.8393	3.0983	4.6685	2.4588	5.4952	3.7247
H9	2.1873	2.7784	1.0757	2.8292	2.0689	4.1170	3.0983	3.8393		2.2042	3.0421	4.9131	2.4054	4.6058
H10	2.7784	2.1873	2.8292	1.0757	4.1170	2.0689	3.8393	3.0983	2.2042		4.9131	3.0421	4.6058	2.4054
H11	2.7133	4.0441	2.1009	5.0388	1.0766	6.3223	2.4588	4.6685	3.0421	4.9131		6.7527	1.8300	7.1143
H12	4.0441	2.7133	5.0388	2.1009	6.3223	1.0766	4.6685	2.4588	4.9131	3.0421	6.7527		7.1143	1.8300
H13	3.4392	4.5988	2.0977	5.1129	1.0748	6.4331	3.7247	5.4952	2.4054	4.6058	1.8300	7.1143		6.9992
H14	4.5988	3.4392	5.1129	2.0977	6.4331	1.0748	5.4952	3.7247	4.6058	2.4054	7.1143	1.8300	6.9992

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	127.253	C1	C2	H8	117.667
C1	C3	C5	123.278	C1	C3	H9	117.955
C2	C1	C3	127.253	C2	C1	H7	117.667
C2	C4	C6	123.278	C2	C4	H10	117.955
C3	C1	H7	115.080	C3	C5	H11	121.802
C3	C5	H13	121.634	C4	C2	H8	115.080
C4	C6	H12	121.802	C4	C6	H14	121.634
C5	C3	H9	118.767	C6	C4	H10	118.767
H11	C5	H13	116.564	H12	C6	H14	116.564

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
1	C	-0.195
2	C	-0.195
3	C	-0.138
4	C	-0.138
5	C	-0.408
6	C	-0.408
7	H	0.190
8	H	0.190
9	H	0.190
10	H	0.190
11	H	0.179
12	H	0.179
13	H	0.183
14	H	0.183

	z	Total
	-0.057	0.057
CHELPG	-0.032	0.032
AIM	-0.010	0.010
ESP	-0.041	0.041

	x	y	z
x	3.256	0.000	0.000
y	0.000	20.751	0.002
z	0.000	0.002	7.692

<r²>	231.869
(<r²>)^1/2	15.227

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)