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	hartrees
Energy at 0K	-233.954244
Energy at 298.15K	-233.964006
HF Energy	-233.033114
Nuclear repulsion energy	212.899872

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3282	3108	13.19
2	A'	3196	3027	15.04
3	A'	3186	3018	3.40
4	A'	3176	3008	11.29
5	A'	3172	3005	29.91
6	A'	3161	2994	18.48
7	A'	3083	2920	18.70
8	A'	3062	2900	27.77
9	A'	1727	1636	10.18
10	A'	1665	1577	3.07
11	A'	1548	1466	7.37
12	A'	1516	1435	5.95
13	A'	1473	1395	2.71
14	A'	1449	1372	9.58
15	A'	1405	1331	8.24
16	A'	1352	1281	4.60
17	A'	1329	1258	0.64
18	A'	1310	1241	0.96
19	A'	1219	1155	4.66
20	A'	1127	1067	2.34
21	A'	1057	1001	2.04
22	A'	969	917	2.21
23	A'	916	867	2.10
24	A'	573	543	2.70
25	A'	474	449	0.28
26	A'	317	300	0.42
27	A'	153	145	0.53
28	A"	3173	3006	27.47
29	A"	3097	2933	14.77
30	A"	1541	1459	9.79
31	A"	1317	1247	0.11
32	A"	1125	1065	1.07
33	A"	1027	973	57.16
34	A"	967	915	5.49
35	A"	878	831	45.50
36	A"	856	811	0.12
37	A"	765	725	6.90
38	A"	623	590	1.77
39	A"	310	294	1.51
40	A"	228	216	1.46
41	A"	147	139	1.04
42	A"	100	95	0.22

Atom	x (Å)	y (Å)	z (Å)
H1	-0.069	3.965	0.000
H2	1.411	2.852	0.000
C3	0.330	2.957	0.000
H4	-1.558	2.028	0.000
C5	-0.478	1.882	0.000
H6	1.080	0.365	0.000
C7	0.000	0.506	0.000
H8	-1.898	-0.379	0.000
C9	-0.821	-0.562	0.000
H10	-0.861	-2.495	0.871
H11	-0.861	-2.495	-0.871
C12	-0.408	-2.005	0.000
H13	1.305	-3.327	0.000
H14	1.569	-1.823	-0.884
H15	1.569	-1.823	0.884
C16	1.096	-2.255	0.000

	H1	H2	C3	H4	C5	H6	C7	H8	C9	H10	H11	C12	H13	H14	H15	C16
H1		1.8515	1.0840	2.4439	2.1235	3.7792	3.4605	4.7134	4.5897	6.5674	6.5674	5.9805	7.4208	6.0800	6.0800	6.3287
H2	1.8515		1.0861	3.0810	2.1232	2.5093	2.7381	4.6243	4.0793	5.8752	5.8752	5.1870	6.1804	4.7604	4.7604	5.1172
C3	1.0840	1.0861		2.1041	1.3450	2.6987	2.4738	4.0113	3.7029	5.6489	5.6489	5.0173	6.3597	5.0166	5.0166	5.2685
H4	2.4439	3.0810	2.1041		1.0899	3.1178	2.1779	2.4302	2.6923	4.6586	4.6586	4.1938	6.0719	5.0382	5.0382	5.0382
C5	2.1235	2.1232	1.3450	1.0899		2.1739	1.4567	2.6694	2.4679	4.4795	4.4795	3.8878	5.5054	4.3236	4.3236	4.4260
H6	3.7792	2.5093	2.6987	3.1178	2.1739		1.0888	3.0688	2.1151	3.5647	3.5647	2.7984	3.6990	2.4098	2.4098	2.6202
C7	3.4605	2.7381	2.4738	2.1779	1.4567	1.0888		2.0936	1.3471	3.2415	3.2415	2.5440	4.0488	2.9436	2.9436	2.9703
H8	4.7134	4.6243	4.0113	2.4302	2.6694	3.0688	2.0936		1.0917	2.5129	2.5129	2.2059	4.3530	3.8582	3.8582	3.5329
C9	4.5897	4.0793	3.7029	2.6923	2.4679	2.1151	1.3471	1.0917		2.1211	2.1211	1.5015	3.4881	2.8436	2.8436	2.5578
H10	6.5674	5.8752	5.6489	4.6586	4.4795	3.5647	3.2415	2.5129	2.1211		1.7429	1.0977	2.4782	3.0726	2.5215	2.1554
H11	6.5674	5.8752	5.6489	4.6586	4.4795	3.5647	3.2415	2.5129	2.1211	1.7429		1.0977	2.4782	2.5215	3.0726	2.1554
C12	5.9805	5.1870	5.0173	4.1938	3.8878	2.7984	2.5440	2.2059	1.5015	1.0977	1.0977		2.1633	2.1734	2.1734	1.5242
H13	7.4208	6.1804	6.3597	6.0719	5.5054	3.6990	4.0488	4.3530	3.4881	2.4782	2.4782	2.1633		1.7651	1.7651	1.0922
H14	6.0800	4.7604	5.0166	5.0382	4.3236	2.4098	2.9436	3.8582	2.8436	3.0726	2.5215	2.1734	1.7651		1.7687	1.0924
H15	6.0800	4.7604	5.0166	5.0382	4.3236	2.4098	2.9436	3.8582	2.8436	2.5215	3.0726	2.1734	1.7651	1.7687		1.0924
C16	6.3287	5.1172	5.2685	5.0382	4.4260	2.6202	2.9703	3.5329	2.5578	2.1554	2.1554	1.5242	1.0922	1.0924	1.0924

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C3	H2	117.122	H1	C3	C5	121.534
H2	C3	C5	121.344	C3	C5	H4	119.204
C3	C5	C7	123.961	H4	C5	C7	116.835
C5	C7	H6	116.567	C5	C7	C9	123.283
H6	C7	C9	120.150	C7	C9	H8	117.903
C7	C9	C12	126.434	H8	C9	C12	115.662
C9	C12	H10	108.384	C9	C12	H11	108.384
C9	C12	C16	115.423	H10	C12	H11	105.107
H10	C12	C16	109.518	H11	C12	C16	109.518
C12	C16	H13	110.465	C12	C16	H14	111.259
C12	C16	H15	111.259	H13	C16	H14	107.803
H13	C16	H15	107.803	H14	C16	H15	108.107

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

using model chemistry: MP2=FULL/6-311G*

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=FULL/6-311G*

States and conformations

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