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	hartrees
Energy at 0K	-232.588660
Energy at 298.15K	-232.595744
HF Energy	-231.802506
Nuclear repulsion energy	196.460862

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3307	3116	22.77
2	A₁	3236	3049	15.01
3	A₁	3211	3026	10.73
4	A₁	3208	3022	8.09
5	A₁	1732	1632	0.02
6	A₁	1647	1552	0.00
7	A₁	1473	1388	0.24
8	A₁	1380	1300	3.43
9	A₁	1322	1246	0.59
10	A₁	1130	1065	1.06
11	A₁	917	864	0.00
12	A₁	398	375	0.03
13	A₁	173	163	0.06
14	A₂	1024	965	0.00
15	A₂	943	888	0.00
16	A₂	912	859	0.00
17	A₂	716	675	0.00
18	A₂	323	305	0.00
19	A₂	133	125	0.00
20	B₁	1026	967	46.05
21	B₁	914	861	77.14
22	B₁	837	789	7.69
23	B₁	600	566	25.75
24	B₁	96	90	0.17
25	B₂	3306	3115	0.23
26	B₂	3222	3035	1.19
27	B₂	3209	3024	4.90
28	B₂	3189	3004	0.14
29	B₂	1708	1609	3.13
30	B₂	1529	1440	6.65
31	B₂	1420	1338	0.02
32	B₂	1337	1260	0.73
33	B₂	1246	1174	1.89
34	B₂	989	932	3.42
35	B₂	694	654	0.40
36	B₂	355	334	8.32

Atom	y (Å)	z (Å)
C1	0.677	0.758
C2	-0.677	0.758
C3	1.545	-0.406
C4	-1.545	-0.406
C5	2.887	-0.315
C6	-2.887	-0.315
H7	1.185	1.723
H8	-1.185	1.723
H9	1.088	-1.393
H10	-1.088	-1.393
H11	3.389	0.648
H12	-3.389	0.648
H13	3.519	-1.197
H14	-3.519	-1.197

	C1	C2	C3	C4	C5	C6	H7	H8	H9	H10	H11	H12	H13	H14
C1		1.3550	1.4522	2.5091	2.4563	3.7224	1.0900	2.0975	2.1905	2.7834	2.7135	4.0677	3.4489	4.6293
C2	1.3550		2.5091	1.4522	3.7224	2.4563	2.0975	1.0900	2.7834	2.1905	4.0677	2.7135	4.6293	3.4489
C3	1.4522	2.5091		3.0899	1.3448	4.4326	2.1594	3.4622	1.0876	2.8121	2.1240	5.0451	2.1262	5.1251
C4	2.5091	1.4522	3.0899		4.4326	1.3448	3.4622	2.1594	2.8121	1.0876	5.0451	2.1240	5.1251	2.1262
C5	2.4563	3.7224	1.3448	4.4326		5.7734	2.6553	4.5535	2.0967	4.1185	1.0865	6.3490	1.0845	6.4658
C6	3.7224	2.4563	4.4326	1.3448	5.7734		4.5535	2.6553	4.1185	2.0967	6.3490	1.0865	6.4658	1.0845
H7	1.0900	2.0975	2.1594	3.4622	2.6553	4.5535		2.3701	3.1178	3.8574	2.4518	4.6984	3.7378	5.5363
H8	2.0975	1.0900	3.4622	2.1594	4.5535	2.6553	2.3701		3.8574	3.1178	4.6984	2.4518	5.5363	3.7378
H9	2.1905	2.7834	1.0876	2.8121	2.0967	4.1185	3.1178	3.8574		2.1765	3.0757	4.9205	2.4385	4.6112
H10	2.7834	2.1905	2.8121	1.0876	4.1185	2.0967	3.8574	3.1178	2.1765		4.9205	3.0757	4.6112	2.4385
H11	2.7135	4.0677	2.1240	5.0451	1.0865	6.3490	2.4518	4.6984	3.0757	4.9205		6.7775	1.8494	7.1497
H12	4.0677	2.7135	5.0451	2.1240	6.3490	1.0865	4.6984	2.4518	4.9205	3.0757	6.7775		7.1497	1.8494
H13	3.4489	4.6293	2.1262	5.1251	1.0845	6.4658	3.7378	5.5363	2.4385	4.6112	1.8494	7.1497		7.0376
H14	4.6293	3.4489	5.1251	2.1262	6.4658	1.0845	5.5363	3.7378	4.6112	2.4385	7.1497	1.8494	7.0376

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	126.682	C1	C2	H8	117.751
C1	C3	C5	122.809	C1	C3	H9	118.487
C2	C1	C3	126.682	C2	C1	H7	117.751
C2	C4	C6	122.809	C2	C4	H10	118.487
C3	C1	H7	115.567	C3	C5	H11	121.394
C3	C5	H13	121.776	C4	C2	H8	115.567
C4	C6	H12	121.394	C4	C6	H14	121.776
C5	C3	H9	118.704	C6	C4	H10	118.704
H11	C5	H13	116.829	H12	C6	H14	116.829

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

using model chemistry: MP2=FULL/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=FULL/6-31G*

States and conformations

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