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	hartrees
Energy at 0K	-232.752236
Energy at 298.15K	-232.759241
HF Energy	-231.845559
Nuclear repulsion energy	196.251882

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3283	3109	24.18
2	A₁	3218	3048	14.18
3	A₁	3192	3024	17.48
4	A₁	3181	3013	1.04
5	A₁	1707	1617	0.01
6	A₁	1621	1535	0.00
7	A₁	1449	1372	0.29
8	A₁	1361	1289	3.98
9	A₁	1302	1233	0.62
10	A₁	1117	1058	1.30
11	A₁	907	859	0.00
12	A₁	397	376	0.02
13	A₁	171	162	0.04
14	A₂	999	946	0.00
15	A₂	910	862	0.00
16	A₂	880	834	0.00
17	A₂	700	663	0.00
18	A₂	311	294	0.00
19	A₂	123	116	0.00
20	B₁	1007	954	57.13
21	B₁	883	837	88.71
22	B₁	818	775	7.54
23	B₁	586	555	36.38
24	B₁	93	89	0.33
25	B₂	3282	3109	0.13
26	B₂	3203	3034	0.51
27	B₂	3181	3013	7.33
28	B₂	3172	3004	0.04
29	B₂	1682	1593	5.76
30	B₂	1505	1426	9.70
31	B₂	1397	1324	0.59
32	B₂	1320	1250	0.59
33	B₂	1229	1164	2.01
34	B₂	978	926	3.62
35	B₂	690	653	0.41
36	B₂	353	335	8.61

Atom	y (Å)	z (Å)
C1	0.679	0.760
C2	-0.679	0.760
C3	1.546	-0.406
C4	-1.546	-0.406
C5	2.890	-0.317
C6	-2.890	-0.317
H7	1.183	1.726
H8	-1.183	1.726
H9	1.091	-1.394
H10	-1.091	-1.394
H11	3.392	0.646
H12	-3.392	0.646
H13	3.517	-1.202
H14	-3.517	-1.202

	C1	C2	C3	C4	C5	C6	H7	H8	H9	H10	H11	H12	H13	H14
C1		1.3570	1.4542	2.5123	2.4603	3.7279	1.0897	2.0972	2.1934	2.7880	2.7159	4.0722	3.4508	4.6318
C2	1.3570		2.5123	1.4542	3.7279	2.4603	2.0972	1.0897	2.7880	2.1934	4.0722	2.7159	4.6318	3.4508
C3	1.4542	2.5123		3.0929	1.3468	4.4376	2.1634	3.4638	1.0873	2.8166	2.1247	5.0494	2.1252	5.1257
C4	2.5123	1.4542	3.0929		4.4376	1.3468	3.4638	2.1634	2.8166	1.0873	5.0494	2.1247	5.1257	2.1252
C5	2.4603	3.7279	1.3468	4.4376		5.7805	2.6627	4.5571	2.0965	4.1246	1.0862	6.3558	1.0842	6.4683
C6	3.7279	2.4603	4.4376	1.3468	5.7805		4.5571	2.6627	4.1246	2.0965	6.3558	1.0862	6.4683	1.0842
H7	1.0897	2.0972	2.1634	3.4638	2.6627	4.5571		2.3661	3.1214	3.8611	2.4589	4.7009	3.7445	5.5376
H8	2.0972	1.0897	3.4638	2.1634	4.5571	2.6627	2.3661		3.8611	3.1214	4.7009	2.4589	5.5376	3.7445
H9	2.1934	2.7880	1.0873	2.8166	2.0965	4.1246	3.1214	3.8611		2.1827	3.0748	4.9257	2.4335	4.6126
H10	2.7880	2.1934	2.8166	1.0873	4.1246	2.0965	3.8611	3.1214	2.1827		4.9257	3.0748	4.6126	2.4335
H11	2.7159	4.0722	2.1247	5.0494	1.0862	6.3558	2.4589	4.7009	3.0748	4.9257		6.7841	1.8520	7.1521
H12	4.0722	2.7159	5.0494	2.1247	6.3558	1.0862	4.7009	2.4589	4.9257	3.0748	6.7841		7.1521	1.8520
H13	3.4508	4.6318	2.1252	5.1257	1.0842	6.4683	3.7445	5.5376	2.4335	4.6126	1.8520	7.1521		7.0345
H14	4.6318	3.4508	5.1257	2.1252	6.4683	1.0842	5.5376	3.7445	4.6126	2.4335	7.1521	1.8520	7.0345

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	126.644	C1	C2	H8	117.581
C1	C3	C5	122.846	C1	C3	H9	118.613
C2	C1	C3	126.644	C2	C1	H7	117.581
C2	C4	C6	122.846	C2	C4	H10	118.613
C3	C1	H7	115.775	C3	C5	H11	121.313
C3	C5	H13	121.533	C4	C2	H8	115.775
C4	C6	H12	121.313	C4	C6	H14	121.533
C5	C3	H9	118.541	C6	C4	H10	118.541
H11	C5	H13	117.154	H12	C6	H14	117.154

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

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

States and conformations

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