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	hartrees
Energy at 0K	-233.438400
Energy at 298.15K	-233.448006
HF Energy	-232.920050
Nuclear repulsion energy	209.069173

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3251	3138	31.18
2	A'	3156	3047	29.62
3	A'	3144	3035	7.04
4	A'	3129	3021	24.90
5	A'	3122	3014	22.61
6	A'	3120	3012	52.87
7	A'	3022	2917	25.85
8	A'	3009	2905	43.55
9	A'	1684	1626	8.41
10	A'	1623	1567	5.45
11	A'	1551	1497	6.94
12	A'	1523	1470	5.49
13	A'	1482	1431	1.24
14	A'	1458	1407	8.72
15	A'	1408	1360	7.15
16	A'	1353	1306	4.15
17	A'	1329	1283	0.23
18	A'	1313	1267	1.60
19	A'	1202	1160	5.35
20	A'	1096	1058	0.93
21	A'	1065	1028	1.02
22	A'	953	920	3.78
23	A'	884	853	2.57
24	A'	563	544	2.28
25	A'	464	448	0.17
26	A'	310	299	0.23
27	A'	150	145	0.37
28	A"	3124	3016	49.54
29	A"	3051	2946	23.63
30	A"	1541	1487	8.09
31	A"	1302	1256	0.10
32	A"	1139	1100	2.31
33	A"	1006	971	80.05
34	A"	960	927	0.72
35	A"	856	826	0.12
36	A"	838	809	60.98
37	A"	764	738	4.53
38	A"	598	578	1.43
39	A"	291	281	2.33
40	A"	219	212	1.86
41	A"	143	138	1.04
42	A"	92	89	0.09

Atom	x (Å)	y (Å)	z (Å)
H1	-0.096	4.034	0.000
H2	1.410	2.931	0.000
C3	0.318	3.022	0.000
H4	-1.584	2.052	0.000
C5	-0.494	1.916	0.000
H6	1.089	0.377	0.000
C7	0.000	0.514	0.000
H8	-1.921	-0.396	0.000
C9	-0.834	-0.578	0.000
H10	-0.856	-2.546	0.887
H11	-0.856	-2.546	-0.887
C12	-0.410	-2.051	0.000
H13	1.343	-3.378	0.000
H14	1.603	-1.852	-0.896
H15	1.603	-1.852	0.896
C16	1.131	-2.293	0.000

	H1	H2	C3	H4	C5	H6	C7	H8	C9	H10	H11	C12	H13	H14	H15	C16
H1		1.8662	1.0932	2.4791	2.1554	3.8442	3.5217	4.7910	4.6710	6.6830	6.6830	6.0936	7.5503	6.1915	6.1915	6.4452
H2	1.8662		1.0954	3.1208	2.1574	2.5744	2.7986	4.7075	4.1656	5.9935	5.9935	5.3047	6.3095	4.8704	4.8704	5.2321
C3	1.0932	1.0954		2.1358	1.3723	2.7552	2.5286	4.0858	3.7803	5.7594	5.7594	5.1257	6.4816	5.1198	5.1198	5.3773
H4	2.4791	3.1208	2.1358		1.0995	3.1548	2.2083	2.4706	2.7349	4.7391	4.7391	4.2681	6.1687	5.1190	5.1190	5.1239
C5	2.1554	2.1574	1.3723	1.0995		2.2072	1.4863	2.7164	2.5170	4.5635	4.5635	3.9680	5.6031	4.4039	4.4039	4.5116
H6	3.8442	2.5744	2.7552	3.1548	2.2072		1.0975	3.1071	2.1473	3.6213	3.6213	2.8538	3.7634	2.4568	2.4568	2.6706
C7	3.5217	2.7986	2.5286	2.2083	1.4863	1.0975		2.1250	1.3741	3.2988	3.2988	2.5978	4.1168	2.9949	2.9949	3.0263
H8	4.7910	4.7075	4.0858	2.4706	2.7164	3.1071	2.1250		1.1014	2.5582	2.5582	2.2411	4.4209	3.9165	3.9165	3.5934
C9	4.6710	4.1656	3.7803	2.7349	2.5170	2.1473	1.3741	1.1014		2.1588	2.1588	1.5332	3.5468	2.8925	2.8925	2.6085
H10	6.6830	5.9935	5.7594	4.7391	4.5635	3.6213	3.2988	2.5582	2.1588		1.7748	1.1094	2.5130	3.1160	2.5549	2.1907
H11	6.6830	5.9935	5.7594	4.7391	4.5635	3.6213	3.2988	2.5582	2.1588	1.7748		1.1094	2.5130	2.5549	3.1160	2.1907
C12	6.0936	5.3047	5.1257	4.2681	3.9680	2.8538	2.5978	2.2411	1.5332	1.1094	1.1094		2.1985	2.2126	2.2126	1.5600
H13	7.5503	6.3095	6.4816	6.1687	5.6031	3.7634	4.1168	4.4209	3.5468	2.5130	2.5130	2.1985		1.7886	1.7886	1.1051
H14	6.1915	4.8704	5.1198	5.1190	4.4039	2.4568	2.9949	3.9165	2.8925	3.1160	2.5549	2.2126	1.7886		1.7926	1.1049
H15	6.1915	4.8704	5.1198	5.1190	4.4039	2.4568	2.9949	3.9165	2.8925	2.5549	3.1160	2.2126	1.7886	1.7926		1.1049
C16	6.4452	5.2321	5.3773	5.1239	4.5116	2.6706	3.0263	3.5934	2.6085	2.1907	2.1907	1.5600	1.1051	1.1049	1.1049

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C3	H2	117.002	H1	C3	C5	121.494
H2	C3	C5	121.504	C3	C5	H4	119.148
C3	C5	C7	124.342	H4	C5	C7	116.510
C5	C7	H6	116.553	C5	C7	C9	123.221
H6	C7	C9	120.226	C7	C9	H8	117.854
C7	C9	C12	126.556	H8	C9	C12	115.591
C9	C12	H10	108.494	C9	C12	H11	108.494
C9	C12	C16	114.979	H10	C12	H11	106.240
H10	C12	C16	109.139	H11	C12	C16	109.139
C12	C16	H13	109.984	C12	C16	H14	111.104
C12	C16	H15	111.104	H13	C16	H14	108.057
H13	C16	H15	108.057	H14	C16	H15	108.426

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

using model chemistry: MP2/SDD

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/SDD

States and conformations

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