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	hartrees
Energy at 0K	-232.626185
Energy at 298.15K	-232.633254
HF Energy	-231.826487
Nuclear repulsion energy	192.460884

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3296	3139	0.00
2	A_g	3198	3046	0.00
3	A_g	3185	3034	0.00
4	A_g	3178	3027	0.00
5	A_g	1707	1626	0.00
6	A_g	1630	1552	0.00
7	A_g	1431	1363	0.00
8	A_g	1314	1252	0.00
9	A_g	1308	1245	0.00
10	A_g	1222	1164	0.00
11	A_g	945	900	0.00
12	A_g	443	422	0.00
13	A_g	346	329	0.00
14	A_u	1050	1000	63.62
15	A_u	962	916	1.15
16	A_u	907	864	64.55
17	A_u	702	668	8.06
18	A_u	253	241	1.54
19	A_u	96	92	0.37
20	B_g	1019	970	0.00
21	B_g	907	864	0.00
22	B_g	865	824	0.00
23	B_g	613	584	0.00
24	B_g	211	201	0.00
25	B_u	3296	3139	17.29
26	B_u	3198	3046	23.27
27	B_u	3186	3035	21.23
28	B_u	3180	3029	3.74
29	B_u	1688	1608	8.44
30	B_u	1464	1395	3.51
31	B_u	1315	1253	4.21
32	B_u	1265	1205	1.48
33	B_u	1164	1109	3.80
34	B_u	980	933	2.09
35	B_u	536	510	3.52
36	B_u	145	138	1.60

Atom	x (Å)	y (Å)
C1	0.001	0.682
C2	-0.001	-0.682
C3	1.212	1.491
C4	-1.212	-1.491
C5	1.212	2.847
C6	-1.212	-2.847
H7	0.961	-1.215
H8	-0.961	1.215
H9	2.169	0.952
H10	-2.169	-0.952
H11	2.147	3.415
H12	-2.147	-3.415
H13	-0.273	-3.411
H14	0.273	3.411

	C1	C2	C3	C4	C5	C6	H7	H8	H9	H10	H11	H12	H13	H14
C1		1.3633	1.4575	2.4887	2.4816	3.7315	2.1260	1.0997	2.1854	2.7159	3.4757	4.6256	4.1018	2.7429
C2	1.3633		2.4887	1.4575	3.7315	2.4816	1.0997	2.1260	2.7159	2.1854	4.6256	3.4757	2.7429	4.1018
C3	1.4575	2.4887		3.8442	1.3557	4.9703	2.7181	2.1911	1.0984	4.1719	2.1388	5.9466	5.1225	2.1373
C4	2.4887	1.4575	3.8442		4.9703	1.3557	2.1911	2.7181	4.1719	1.0984	5.9466	2.1388	2.1373	5.1225
C5	2.4816	3.7315	1.3557	4.9703		6.1891	4.0699	2.7182	2.1230	5.0861	1.0939	7.1066	6.4320	1.0960
C6	3.7315	2.4816	4.9703	1.3557	6.1891		2.7182	4.0699	5.0861	2.1230	7.1066	1.0939	1.0960	6.4320
H7	2.1260	1.0997	2.7181	2.1911	4.0699	2.7182		3.0984	2.4809	3.1414	4.7795	3.8084	2.5189	4.6770
H8	1.0997	2.1260	2.1911	2.7181	2.7182	4.0699	3.0984		3.1414	2.4809	3.8084	4.7795	4.6770	2.5189
H9	2.1854	2.7159	1.0984	4.1719	2.1230	5.0861	2.4809	3.1414		4.7377	2.4632	6.1403	4.9998	3.1055
H10	2.7159	2.1854	4.1719	1.0984	5.0861	2.1230	3.1414	2.4809	4.7377		6.1403	2.4632	3.1055	4.9998
H11	3.4757	4.6256	2.1388	5.9466	1.0939	7.1066	4.7795	3.8084	2.4632	6.1403		8.0682	7.2424	1.8748
H12	4.6256	3.4757	5.9466	2.1388	7.1066	1.0939	3.8084	4.7795	6.1403	2.4632	8.0682		1.8748	7.2424
H13	4.1018	2.7429	5.1225	2.1373	6.4320	1.0960	2.5189	4.6770	4.9998	3.1055	7.2424	1.8748		6.8439
H14	2.7429	4.1018	2.1373	5.1225	1.0960	6.4320	4.6770	2.5189	3.1055	4.9998	1.8748	7.2424	6.8439

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	123.799	C1	C2	H7	118.963
C1	C3	C5	123.754	C1	C3	H9	116.829
C2	C1	C3	123.799	C2	C1	H8	118.963
C2	C4	C6	123.754	C2	C4	H10	116.829
C3	C1	H8	117.237	C3	C5	H11	121.274
C3	C5	H14	120.962	C4	C2	H7	117.237
C4	C6	H12	121.274	C4	C6	H13	120.962
C5	C3	H9	119.417	C6	C4	H10	119.417
H11	C5	H14	117.764	H12	C6	H13	117.764

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

using model chemistry: MP2/cc-pVDZ

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/cc-pVDZ

States and conformations

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