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	hartrees
Energy at 0K	-232.591476
Energy at 298.15K	-232.598538
HF Energy	-231.805745
Nuclear repulsion energy	193.799585

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3308	3117	0.00
2	A_g	3215	3029	0.00
3	A_g	3201	3016	0.00
4	A_g	3187	3003	0.00
5	A_g	1734	1634	0.00
6	A_g	1659	1563	0.00
7	A_g	1473	1388	0.00
8	A_g	1364	1285	0.00
9	A_g	1344	1266	0.00
10	A_g	1255	1182	0.00
11	A_g	969	913	0.00
12	A_g	451	425	0.00
13	A_g	354	333	0.00
14	A_u	1054	993	70.70
15	A_u	970	914	1.65
16	A_u	910	858	80.49
17	A_u	707	667	8.01
18	A_u	250	235	1.87
19	A_u	94	89	0.29
20	B_g	1025	966	0.00
21	B_g	910	858	0.00
22	B_g	865	815	0.00
23	B_g	613	578	0.00
24	B_g	203	191	0.00
25	B_u	3308	3117	21.81
26	B_u	3215	3029	5.69
27	B_u	3202	3017	40.17
28	B_u	3189	3005	6.96
29	B_u	1716	1617	6.64
30	B_u	1509	1422	2.88
31	B_u	1356	1277	3.67
32	B_u	1315	1239	0.99
33	B_u	1190	1121	5.53
34	B_u	1002	944	2.44
35	B_u	550	518	3.26
36	B_u	148	139	1.56

Atom	x (Å)	y (Å)
C1	0.000	0.676
C2	0.000	-0.676
C3	1.203	1.485
C4	-1.203	-1.485
C5	1.202	2.829
C6	-1.202	-2.829
H7	0.954	-1.207
H8	-0.954	1.207
H9	2.154	0.951
H10	-2.154	-0.951
H11	2.123	3.401
H12	-2.123	-3.401
H13	-0.274	-3.394
H14	0.274	3.394

	C1	C2	C3	C4	C5	C6	H7	H8	H9	H10	H11	H12	H13	H14
C1		1.3521	1.4497	2.4731	2.4656	3.7053	2.1103	1.0912	2.1715	2.6998	3.4541	4.5964	4.0792	2.7317
C2	1.3521		2.4731	1.4497	3.7053	2.4656	1.0912	2.1103	2.6998	2.1715	4.5964	3.4541	2.7317	4.0792
C3	1.4497	2.4731		3.8219	1.3445	4.9386	2.7026	2.1748	1.0899	4.1480	2.1255	5.9102	5.0972	2.1237
C4	2.4731	1.4497	3.8219		4.9386	1.3445	2.1748	2.7026	4.1480	1.0899	5.9102	2.1255	2.1237	5.0972
C5	2.4656	3.7053	1.3445	4.9386		6.1473	4.0431	2.6977	2.1053	5.0549	1.0844	7.0614	6.3955	1.0864
C6	3.7053	2.4656	4.9386	1.3445	6.1473		2.6977	4.0431	5.0549	2.1053	7.0614	1.0844	1.0864	6.3955
H7	2.1103	1.0912	2.7026	2.1748	4.0431	2.6977		3.0758	2.4694	3.1181	4.7533	3.7790	2.5083	4.6505
H8	1.0912	2.1103	2.1748	2.7026	2.6977	4.0431	3.0758		3.1181	2.4694	3.7790	4.7533	4.6505	2.5083
H9	2.1715	2.6998	1.0899	4.1480	2.1053	5.0549	2.4694	3.1181		4.7096	2.4494	6.1020	4.9776	3.0824
H10	2.6998	2.1715	4.1480	1.0899	5.0549	2.1053	3.1181	2.4694	4.7096		6.1020	2.4494	3.0824	4.9776
H11	3.4541	4.5964	2.1255	5.9102	1.0844	7.0614	4.7533	3.7790	2.4494	6.1020		8.0180	7.2050	1.8494
H12	4.5964	3.4541	5.9102	2.1255	7.0614	1.0844	3.7790	4.7533	6.1020	2.4494	8.0180		1.8494	7.2050
H13	4.0792	2.7317	5.0972	2.1237	6.3955	1.0864	2.5083	4.6505	4.9776	3.0824	7.2050	1.8494		6.8100
H14	2.7317	4.0792	2.1237	5.0972	1.0864	6.3955	4.6505	2.5083	3.0824	4.9776	1.8494	7.2050	6.8100

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	123.895	C1	C2	H7	119.084
C1	C3	C5	123.822	C1	C3	H9	116.827
C2	C1	C3	123.895	C2	C1	H8	119.084
C2	C4	C6	123.822	C2	C4	H10	116.827
C3	C1	H8	117.021	C3	C5	H11	121.742
C3	C5	H14	121.409	C4	C2	H7	117.021
C4	C6	H12	121.742	C4	C6	H13	121.409
C5	C3	H9	119.351	C6	C4	H10	119.351
H11	C5	H14	116.849	H12	C6	H13	116.849

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

using model chemistry: MP2=FULL/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=FULL/6-31G*

States and conformations

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