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	hartrees
Energy at 0K	-233.932785
Energy at 298.15K	-233.942192
HF Energy	-233.068091
Nuclear repulsion energy	213.476289

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3294	3122	11.38
2	A'	3205	3038	16.25
3	A'	3196	3030	2.76
4	A'	3187	3021	9.22
5	A'	3176	3010	30.65
6	A'	3172	3007	17.68
7	A'	3086	2925	19.24
8	A'	3066	2906	28.33
9	A'	1721	1631	11.57
10	A'	1662	1575	3.69
11	A'	1531	1451	4.52
12	A'	1497	1419	4.71
13	A'	1474	1398	1.93
14	A'	1438	1363	5.75
15	A'	1399	1326	10.18
16	A'	1349	1279	4.53
17	A'	1331	1261	0.53
18	A'	1306	1238	0.22
19	A'	1215	1151	3.22
20	A'	1118	1060	2.08
21	A'	1053	998	2.60
22	A'	965	915	0.93
23	A'	909	862	1.99
24	A'	571	541	2.03
25	A'	474	449	0.28
26	A'	316	299	0.58
27	A'	153	145	0.50
28	A"	3174	3008	26.77
29	A"	3102	2940	12.70
30	A"	1517	1438	7.67
31	A"	1297	1229	0.38
32	A"	1112	1054	0.84
33	A"	1004	952	57.55
34	A"	943	894	2.42
35	A"	823	780	0.07
36	A"	765	725	44.43
37	A"	706	669	0.00
38	A"	557	528	1.33
39	A"	296	281	1.52
40	A"	200	190	2.53
41	A"	79	75	0.22
42	A"	60	57	0.01

Atom	x (Å)	y (Å)	z (Å)
H1	-0.044	3.833	0.000
H2	1.362	2.740	0.000
C3	0.339	2.873	0.000
H4	-1.506	1.970	0.000
C5	-0.482	1.810	0.000
H6	1.021	0.362	0.000
C7	0.000	0.512	0.000
H8	-1.849	-0.353	0.000
C9	-0.830	-0.543	0.000
H10	-0.836	-2.447	0.875
H11	-0.836	-2.447	-0.875
C12	-0.413	-1.955	0.000
H13	1.309	-3.256	0.000
H14	1.549	-1.733	-0.874
H15	1.549	-1.733	0.874
C16	1.099	-2.186	0.000

	H1	H2	C3	H4	C5	H6	C7	H8	C9	H10	H11	C12	H13	H14	H15	C16
H1		1.7818	1.0344	2.3688	2.0706	3.6311	3.3215	4.5585	4.4463	6.3904	6.3904	5.8001	7.2178	5.8557	5.8557	6.1267
H2	1.7818		1.0321	2.9700	2.0658	2.4018	2.6110	4.4580	3.9472	5.7009	5.7009	5.0189	5.9961	4.5610	4.5610	4.9322
C3	1.0344	1.0321		2.0540	1.3431	2.6015	2.3846	3.8972	3.6099	5.5177	5.5177	4.8857	6.2052	4.8416	4.8416	5.1150
H4	2.3688	2.9700	2.0540		1.0361	2.9950	2.0957	2.3474	2.6018	4.5521	4.5521	4.0740	5.9360	4.8794	4.8794	4.9044
C5	2.0706	2.0658	1.3431	1.0361		2.0870	1.3843	2.5580	2.3781	4.3602	4.3602	3.7653	5.3735	4.1765	4.1765	4.2970
H6	3.6311	2.4018	2.6015	2.9950	2.0870		1.0320	2.9577	2.0603	3.4794	3.4794	2.7248	3.6299	2.3308	2.3308	2.5489
C7	3.3215	2.6110	2.3846	2.0957	1.3843	1.0320		2.0412	1.3423	3.1972	3.1972	2.5014	3.9894	2.8645	2.8645	2.9132
H8	4.5585	4.4580	3.8972	2.3474	2.5580	2.9577	2.0412		1.0366	2.4857	2.4857	2.1518	4.2901	3.7707	3.7707	3.4717
C9	4.4463	3.9472	3.6099	2.6018	2.3781	2.0603	1.3423	1.0366		2.0958	2.0958	1.4725	3.4553	2.8003	2.8003	2.5339
H10	6.3904	5.7009	5.5177	4.5521	4.3602	3.4794	3.1972	2.4857	2.0958		1.7509	1.0898	2.4543	3.0432	2.4900	2.1403
H11	6.3904	5.7009	5.5177	4.5521	4.3602	3.4794	3.1972	2.4857	2.0958	1.7509		1.0898	2.4543	2.4900	3.0432	2.1403
C12	5.8001	5.0189	4.8857	4.0740	3.7653	2.7248	2.5014	2.1518	1.4725	1.0898	1.0898		2.1584	2.1595	2.1595	1.5296
H13	7.2178	5.9961	6.2052	5.9360	5.3735	3.6299	3.9894	4.2901	3.4553	2.4543	2.4543	2.1584		1.7726	1.7726	1.0911
H14	5.8557	4.5610	4.8416	4.8794	4.1765	2.3308	2.8645	3.7707	2.8003	3.0432	2.4900	2.1595	1.7726		1.7483	1.0823
H15	5.8557	4.5610	4.8416	4.8794	4.1765	2.3308	2.8645	3.7707	2.8003	2.4900	3.0432	2.1595	1.7726	1.7483		1.0823
C16	6.1267	4.9322	5.1150	4.9044	4.2970	2.5489	2.9132	3.4717	2.5339	2.1403	2.1403	1.5296	1.0911	1.0823	1.0823

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C3	H2	119.138	H1	C3	C5	120.576
H2	C3	C5	120.286	C3	C5	H4	118.814
C3	C5	C7	121.919	H4	C5	C7	119.267
C5	C7	H6	118.753	C5	C7	C9	121.420
H6	C7	C9	119.827	C7	C9	H8	117.615
C7	C9	C12	125.353	H8	C9	C12	117.031
C9	C12	H10	108.841	C9	C12	H11	108.841
C9	C12	C16	115.129	H10	C12	H11	106.892
H10	C12	C16	108.416	H11	C12	C16	108.416
C12	C16	H13	109.759	C12	C16	H14	110.362
C12	C16	H15	110.362	H13	C16	H14	109.292
H13	C16	H15	109.292	H14	C16	H15	107.736

All results from a given calculation for C₆H₁₀ (1,3-Hexadiene, (E)-)

using model chemistry: MP2/TZVP

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 C6H10 (1,3-Hexadiene, (E)-)

using model chemistry: MP2/TZVP

States and conformations

All results from a given calculation for C₆H₁₀ (1,3-Hexadiene, (E)-)