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	hartrees
Energy at 0K	-232.702713
Energy at 298.15K	-232.709700
HF Energy	-231.863092
Nuclear repulsion energy	193.487251

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3281	3117	0.00
2	A_g	3186	3027	0.00
3	A_g	3176	3018	0.00
4	A_g	3166	3009	0.00
5	A_g	1698	1613	0.00
6	A_g	1624	1543	0.00
7	A_g	1438	1367	0.00
8	A_g	1325	1259	0.00
9	A_g	1312	1247	0.00
10	A_g	1225	1164	0.00
11	A_g	946	899	0.00
12	A_g	445	423	0.00
13	A_g	347	330	0.00
14	A_u	1040	988	80.92
15	A_u	948	901	1.26
16	A_u	880	836	75.83
17	A_u	685	651	9.14
18	A_u	243	231	2.14
19	A_u	91	87	0.41
20	B_g	1009	959	0.00
21	B_g	880	836	0.00
22	B_g	837	795	0.00
23	B_g	600	570	0.00
24	B_g	192	183	0.00
25	B_u	3281	3118	21.14
26	B_u	3186	3027	20.50
27	B_u	3177	3019	28.04
28	B_u	3168	3011	4.12
29	B_u	1679	1595	9.96
30	B_u	1472	1399	4.34
31	B_u	1322	1256	4.01
32	B_u	1277	1213	1.26
33	B_u	1163	1105	4.37
34	B_u	980	932	1.80
35	B_u	540	513	3.39
36	B_u	145	138	1.58

Atom	x (Å)	y (Å)
C1	0.001	0.678
C2	-0.001	-0.678
C3	1.210	1.484
C4	-1.210	-1.484
C5	1.210	2.832
C6	-1.210	-2.832
H7	0.952	-1.208
H8	-0.952	1.208
H9	2.159	0.949
H10	-2.159	-0.949
H11	2.136	3.397
H12	-2.136	-3.397
H13	-0.278	-3.391
H14	0.278	3.391

	C1	C2	C3	C4	C5	C6	H7	H8	H9	H10	H11	H12	H13	H14
C1		1.3551	1.4532	2.4780	2.4703	3.7126	2.1117	1.0910	2.1750	2.7044	3.4572	4.6011	4.0783	2.7276
C2	1.3551		2.4780	1.4532	3.7126	2.4703	1.0910	2.1117	2.7044	2.1750	4.6011	3.4572	2.7276	4.0783
C3	1.4532	2.4780		3.8298	1.3477	4.9483	2.7044	2.1797	1.0897	4.1560	2.1252	5.9179	5.0974	2.1223
C4	2.4780	1.4532	3.8298		4.9483	1.3477	2.1797	2.7044	4.1560	1.0897	5.9179	2.1252	2.1223	5.0974
C5	2.4703	3.7126	1.3477	4.9483		6.1592	4.0480	2.7042	2.1085	5.0644	1.0846	7.0707	6.3985	1.0866
C6	3.7126	2.4703	4.9483	1.3477	6.1592		2.7042	4.0480	5.0644	2.1085	7.0707	1.0846	1.0866	6.3985
H7	2.1117	1.0910	2.7044	2.1797	4.0480	2.7042		3.0761	2.4718	3.1221	4.7547	3.7852	2.5061	4.6481
H8	1.0910	2.1117	2.1797	2.7044	2.7042	4.0480	3.0761		3.1221	2.4718	3.7852	4.7547	4.6481	2.5061
H9	2.1750	2.7044	1.0897	4.1560	2.1085	5.0644	2.4718	3.1221		4.7173	2.4481	6.1104	4.9779	3.0824
H10	2.7044	2.1750	4.1560	1.0897	5.0644	2.1085	3.1221	2.4718	4.7173		6.1104	2.4481	3.0824	4.9779
H11	3.4572	4.6011	2.1252	5.9179	1.0846	7.0707	4.7547	3.7852	2.4481	6.1104		8.0254	7.2047	1.8574
H12	4.6011	3.4572	5.9179	2.1252	7.0707	1.0846	3.7852	4.7547	6.1104	2.4481	8.0254		1.8574	7.2047
H13	4.0783	2.7276	5.0974	2.1223	6.3985	1.0866	2.5061	4.6481	4.9779	3.0824	7.2047	1.8574		6.8050
H14	2.7276	4.0783	2.1223	5.0974	1.0866	6.3985	4.6481	2.5061	3.0824	4.9779	1.8574	7.2047	6.8050

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	123.823	C1	C2	H7	118.979
C1	C3	C5	123.720	C1	C3	H9	116.874
C2	C1	C3	123.823	C2	C1	H8	118.979
C2	C4	C6	123.720	C2	C4	H10	116.874
C3	C1	H8	117.197	C3	C5	H11	121.412
C3	C5	H14	120.968	C4	C2	H7	117.197
C4	C6	H12	121.412	C4	C6	H13	120.968
C5	C3	H9	119.405	C6	C4	H10	119.405
H11	C5	H14	117.620	H12	C6	H13	117.620

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

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

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 ((E)-hexa-1,3,5-triene)

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

States and conformations

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