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	hartrees
Energy at 0K	-232.251957
Energy at 298.15K	-232.258946
HF Energy	-231.720029
Nuclear repulsion energy	191.710004

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3261	3121	0.00
2	A_g	3168	3031	0.00
3	A_g	3148	3012	0.00
4	A_g	3133	2998	0.00
5	A_g	1701	1627	0.00
6	A_g	1631	1561	0.00
7	A_g	1482	1418	0.00
8	A_g	1377	1317	0.00
9	A_g	1348	1289	0.00
10	A_g	1251	1197	0.00
11	A_g	969	928	0.00
12	A_g	448	429	0.00
13	A_g	354	338	0.00
14	A_u	1029	985	85.34
15	A_u	951	910	3.90
16	A_u	912	873	90.12
17	A_u	691	661	8.33
18	A_u	237	226	2.43
19	A_u	89	85	0.17
20	B_g	1007	963	0.00
21	B_g	913	873	0.00
22	B_g	826	791	0.00
23	B_g	594	568	0.00
24	B_g	182	174	0.00
25	B_u	3261	3121	42.82
26	B_u	3168	3031	12.88
27	B_u	3149	3013	59.78
28	B_u	3135	3000	10.67
29	B_u	1681	1608	6.51
30	B_u	1522	1456	1.88
31	B_u	1363	1304	2.89
32	B_u	1334	1277	0.60
33	B_u	1176	1126	5.23
34	B_u	999	956	1.67
35	B_u	553	529	2.29
36	B_u	149	142	1.12

Atom	x (Å)	y (Å)
C1	0.000	0.683
C2	0.000	-0.683
C3	1.216	1.506
C4	-1.216	-1.506
C5	1.218	2.866
C6	-1.218	-2.866
H7	0.958	-1.216
H8	-0.958	1.216
H9	2.171	0.971
H10	-2.171	-0.971
H11	2.143	3.439
H12	-2.143	-3.439
H13	-0.290	-3.439
H14	0.290	3.439

	C1	C2	C3	C4	C5	C6	H7	H8	H9	H10	H11	H12	H13	H14
C1		1.3665	1.4679	2.5041	2.4992	3.7521	2.1273	1.0964	2.1899	2.7292	3.4912	4.6463	4.1325	2.7710
C2	1.3665		2.5041	1.4679	3.7521	2.4992	1.0964	2.1273	2.7292	2.1899	4.6463	3.4912	2.7710	4.1325
C3	1.4679	2.5041		3.8708	1.3598	5.0033	2.7339	2.1934	1.0949	4.1956	2.1443	5.9780	5.1690	2.1437
C4	2.5041	1.4679	3.8708		5.0033	1.3598	2.1934	2.7339	4.1956	1.0949	5.9780	2.1443	2.1437	5.1690
C5	2.4992	3.7521	1.3598	5.0033		6.2275	4.0898	2.7309	2.1212	5.1188	1.0887	7.1448	6.4825	1.0911
C6	3.7521	2.4992	5.0033	1.3598	6.2275		2.7309	4.0898	5.1188	2.1212	7.1448	1.0887	1.0911	6.4825
H7	2.1273	1.0964	2.7339	2.1934	4.0898	2.7309		3.0963	2.5003	3.1389	4.8035	3.8162	2.5495	4.7028
H8	1.0964	2.1273	2.1934	2.7339	2.7309	4.0898	3.0963		3.1389	2.5003	3.8162	4.8035	4.7028	2.5495
H9	2.1899	2.7292	1.0949	4.1956	2.1212	5.1188	2.5003	3.1389		4.7562	2.4687	6.1692	5.0497	3.1037
H10	2.7292	2.1899	4.1956	1.0949	5.1188	2.1212	3.1389	2.5003	4.7562		6.1692	2.4687	3.1037	5.0497
H11	3.4912	4.6463	2.1443	5.9780	1.0887	7.1448	4.8035	3.8162	2.4687	6.1692		8.1047	7.2958	1.8537
H12	4.6463	3.4912	5.9780	2.1443	7.1448	1.0887	3.8162	4.8035	6.1692	2.4687	8.1047		1.8537	7.2958
H13	4.1325	2.7710	5.1690	2.1437	6.4825	1.0911	2.5495	4.7028	5.0497	3.1037	7.2958	1.8537		6.9025
H14	2.7710	4.1325	2.1437	5.1690	1.0911	6.4825	4.7028	2.5495	3.1037	5.0497	1.8537	7.2958	6.9025

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	124.081	C1	C2	H7	119.064
C1	C3	C5	124.168	C1	C3	H9	116.655
C2	C1	C3	124.081	C2	C1	H8	119.064
C2	C4	C6	124.168	C2	C4	H10	116.655
C3	C1	H8	116.855	C3	C5	H11	121.876
C3	C5	H14	121.615	C4	C2	H7	116.855
C4	C6	H12	121.876	C4	C6	H13	121.615
C5	C3	H9	119.177	C6	C4	H10	119.177
H11	C5	H14	116.509	H12	C6	H13	116.509

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

using model chemistry: MP2/6-31G

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

using model chemistry: MP2/6-31G

States and conformations

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