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	hartrees
Energy at 0K	-37.888968
Energy at 298.15K	-37.895856
HF Energy	-37.415262
Nuclear repulsion energy	99.873439

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3244	3135	0.00
2	A_g	3152	3045	0.00
3	A_g	3135	3029	0.00
4	A_g	3132	3026	0.00
5	A_g	1671	1615	0.00
6	A_g	1592	1539	0.00
7	A_g	1439	1390	0.00
8	A_g	1344	1299	0.00
9	A_g	1319	1274	0.00
10	A_g	1228	1186	0.00
11	A_g	934	902	0.00
12	A_g	433	418	0.00
13	A_g	337	326	0.00
14	A_u	1039	1004	149.57
15	A_u	973	940	0.10
16	A_u	809	782	125.84
17	A_u	674	651	11.53
18	A_u	235	227	4.50
19	A_u	98	95	0.25
20	B_g	1008	974	0.00
21	B_g	855	826	0.00
22	B_g	808	781	0.00
23	B_g	599	579	0.00
24	B_g	204	197	0.00
25	B_u	3244	3135	93.58
26	B_u	3151	3044	41.60
27	B_u	3134	3028	86.20
28	B_u	3130	3025	7.48
29	B_u	1644	1588	12.15
30	B_u	1484	1434	2.73
31	B_u	1331	1286	2.70
32	B_u	1301	1258	0.53
33	B_u	1151	1112	5.94
34	B_u	967	935	3.28
35	B_u	527	509	2.61
36	B_u	142	137	1.17

Atom	x (Å)	y (Å)
C1	0.000	0.699
C2	0.000	-0.699
C3	1.244	1.526
C4	-1.244	-1.526
C5	1.239	2.920
C6	-1.239	-2.920
H7	0.965	-1.240
H8	-0.965	1.240
H9	2.208	0.986
H10	-2.208	-0.986
H11	2.177	3.497
H12	-2.177	-3.497
H13	-0.296	-3.489
H14	0.296	3.489

	C1	C2	C3	C4	C5	C6	H7	H8	H9	H10	H11	H12	H13	H14
C1		1.3979	1.4943	2.5496	2.5434	3.8253	2.1658	1.1061	2.2261	2.7768	3.5452	4.7272	4.1987	2.8060
C2	1.3979		2.5496	1.4943	3.8253	2.5434	1.1061	2.1658	2.7768	2.2261	4.7272	3.5452	2.8060	4.1987
C3	1.4943	2.5496		3.9387	1.3936	5.0930	2.7808	2.2273	1.1049	4.2691	2.1803	6.0779	5.2469	2.1801
C4	2.5496	1.4943	3.9387		5.0930	1.3936	2.2273	2.7808	4.2691	1.1049	6.0779	2.1803	2.1801	5.2469
C5	2.5434	3.8253	1.3936	5.0930		6.3442	4.1693	2.7710	2.1634	5.2090	1.1009	7.2699	6.5906	1.1019
C6	3.8253	2.5434	5.0930	1.3936	6.3442		2.7710	4.1693	5.2090	2.1634	7.2699	1.1009	1.1019	6.5906
H7	2.1658	1.1061	2.7808	2.2273	4.1693	2.7710		3.1424	2.5493	3.1824	4.8902	3.8681	2.5782	4.7767
H8	1.1061	2.1658	2.2273	2.7808	2.7710	4.1693	3.1424		3.1824	2.5493	3.8681	4.8902	4.7767	2.5782
H9	2.2261	2.7768	1.1049	4.2691	2.1634	5.2090	2.5493	3.1824		4.8352	2.5120	6.2704	5.1275	3.1503
H10	2.7768	2.2261	4.2691	1.1049	5.2090	2.1634	3.1824	2.5493	4.8352		6.2704	2.5120	3.1503	5.1275
H11	3.5452	4.7272	2.1803	6.0779	1.1009	7.2699	4.8902	3.8681	2.5120	6.2704		8.2388	7.4113	1.8809
H12	4.7272	3.5452	6.0779	2.1803	7.2699	1.1009	3.8681	4.8902	6.2704	2.5120	8.2388		1.8809	7.4113
H13	4.1987	2.8060	5.2469	2.1801	6.5906	1.1019	2.5782	4.7767	5.1275	3.1503	7.4113	1.8809		7.0037
H14	2.8060	4.1987	2.1801	5.2469	1.1019	6.5906	4.7767	2.5782	3.1503	5.1275	1.8809	7.4113	7.0037

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	123.627	C1	C2	H7	119.299
C1	C3	C5	123.420	C1	C3	H9	117.057
C2	C1	C3	123.627	C2	C1	H8	119.299
C2	C4	C6	123.420	C2	C4	H10	117.057
C3	C1	H8	117.074	C3	C5	H11	121.419
C3	C5	H14	121.314	C4	C2	H7	117.074
C4	C6	H12	121.419	C4	C6	H13	121.314
C5	C3	H9	119.523	C6	C4	H10	119.523
H11	C5	H14	117.267	H12	C6	H13	117.267

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

using model chemistry: MP2/CEP-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/CEP-31G

States and conformations

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