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	hartrees
Energy at 0K	-232.723187
Energy at 298.15K	-232.729355
HF Energy	-231.810602
Nuclear repulsion energy	190.131744

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3188	3020	19.00
2	A₁	3164	2997	6.98
3	A₁	3070	2908	12.86
4	A₁	2174	2059	1.46
5	A₁	1533	1452	8.87
6	A₁	1442	1365	10.15
7	A₁	1401	1326	0.36
8	A₁	1146	1086	1.57
9	A₁	1086	1029	0.61
10	A₁	769	728	0.34
11	A₁	473	448	6.70
12	A₁	96	91	1.59
13	A₂	3142	2976	0.00
14	A₂	1518	1438	0.00
15	A₂	1067	1011	0.00
16	A₂	839	794	0.00
17	A₂	464	440	0.00
18	A₂	230	218	0.00
19	A₂	131	124	0.00
20	B₁	3142	2976	31.82
21	B₁	1519	1439	17.69
22	B₁	1064	1008	0.74
23	B₁	691	654	48.84
24	B₁	223	211	3.54
25	B₁	122	116	1.92
26	B₂	3188	3020	11.99
27	B₂	3165	2998	0.16
28	B₂	3070	2908	43.86
29	B₂	1705	1615	4.86
30	B₂	1522	1442	17.82
31	B₂	1440	1363	3.06
32	B₂	1298	1229	13.53
33	B₂	1121	1062	1.96
34	B₂	959	908	28.47
35	B₂	550	521	2.81
36	B₂	210	199	0.40

Atom	x (Å)	y (Å)	z (Å)
H1	0.000	2.179	1.631
H2	0.881	3.452	0.765
H3	-0.881	3.452	0.765
H4	0.000	-2.179	1.631
H5	0.881	-3.452	0.765
H6	-0.881	-3.452	0.765
C7	0.000	2.803	0.737
C8	0.000	-2.803	0.737
H9	0.000	2.486	-1.466
H10	0.000	-2.486	-1.466
C11	0.000	-0.636	-0.510
C12	0.000	0.636	-0.510
C13	0.000	1.962	-0.509
C14	0.000	-1.962	-0.509

	H1	H2	H3	H4	H5	H6	C7	C8	H9	H10	C11	C12	C13	C14
H1		1.7742	1.7742	4.3572	5.7647	5.7647	1.0905	5.0614	3.1116	5.5984	3.5363	2.6384	2.1504	4.6611
H2	1.7742		1.7617	5.7647	6.9045	7.1256	1.0945	6.3172	2.5857	6.4038	4.3722	3.2141	2.1488	5.6318
H3	1.7742	1.7617		5.7647	7.1256	6.9045	1.0945	6.3172	2.5857	6.4038	4.3722	3.2141	2.1488	5.6318
H4	4.3572	5.7647	5.7647		1.7742	1.7742	5.0614	1.0905	5.5984	3.1116	2.6384	3.5363	4.6611	2.1504
H5	5.7647	6.9045	7.1256	1.7742		1.7617	6.3172	1.0945	6.4038	2.5857	3.2141	4.3722	5.6318	2.1488
H6	5.7647	7.1256	6.9045	1.7742	1.7617		6.3172	1.0945	6.4038	2.5857	3.2141	4.3722	5.6318	2.1488
C7	1.0905	1.0945	1.0945	5.0614	6.3172	6.3172		5.6064	2.2253	5.7291	3.6584	2.5000	1.5029	4.9258
C8	5.0614	6.3172	6.3172	1.0905	1.0945	1.0945	5.6064		5.7291	2.2253	2.5000	3.6584	4.9258	1.5029
H9	3.1116	2.5857	2.5857	5.5984	6.4038	6.4038	2.2253	5.7291		4.9711	3.2648	2.0817	1.0905	4.5498
H10	5.5984	6.4038	6.4038	3.1116	2.5857	2.5857	5.7291	2.2253	4.9711		2.0817	3.2648	4.5498	1.0905
C11	3.5363	4.3722	4.3722	2.6384	3.2141	3.2141	3.6584	2.5000	3.2648	2.0817		1.2724	2.5987	1.3263
C12	2.6384	3.2141	3.2141	3.5363	4.3722	4.3722	2.5000	3.6584	2.0817	3.2648	1.2724		1.3263	2.5987
C13	2.1504	2.1488	2.1488	4.6611	5.6318	5.6318	1.5029	4.9258	1.0905	4.5498	2.5987	1.3263		3.9250
C14	4.6611	5.6318	5.6318	2.1504	2.1488	2.1488	4.9258	1.5029	4.5498	1.0905	1.3263	2.5987	3.9250

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C7	H2	108.582	H1	C7	H3	108.582
H1	C7	C13	111.039	H2	C7	H3	107.182
H2	C7	C13	110.669	H3	C7	C13	110.669
H4	C8	H5	108.582	H4	C8	H6	108.582
H4	C8	C14	111.039	H5	C8	H6	107.182
H5	C8	C14	110.669	H6	C8	C14	110.669
C7	C13	H9	117.320	C7	C13	C12	124.060
C8	C14	H10	117.320	C8	C14	C11	124.060
H9	C13	C12	118.620	H10	C14	C11	118.620
C11	C12	C13	179.956	C12	C11	C14	179.956

All results from a given calculation for C₆H₈ ((Z)-hexa-2,3,4-triene)

using model chemistry: MP2=FULL/6-311G*

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-2,3,4-triene)

using model chemistry: MP2=FULL/6-311G*

States and conformations

All results from a given calculation for C₆H₈ ((Z)-hexa-2,3,4-triene)