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	hartrees
Energy at 0K	-233.833241
Energy at 298.15K	-233.842985
HF Energy	-233.024746
Nuclear repulsion energy	212.430894

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3274	3111	6.99
2	A	3180	3022	0.19
3	A	3168	3011	37.44
4	A	3135	2979	21.48
5	A	3061	2909	3.81
6	A	1702	1617	4.83
7	A	1519	1443	3.43
8	A	1472	1399	4.03
9	A	1383	1314	0.27
10	A	1334	1268	1.08
11	A	1267	1204	0.20
12	A	1105	1050	0.02
13	A	1065	1012	2.19
14	A	1018	967	10.50
15	A	968	920	0.15
16	A	903	858	15.92
17	A	789	749	0.48
18	A	634	603	7.31
19	A	427	406	0.00
20	A	352	335	0.10
21	A	95	90	0.01
22	A	76	72	0.01
23	B	3274	3111	25.24
24	B	3179	3021	10.00
25	B	3167	3010	9.36
26	B	3115	2960	1.39
27	B	3068	2915	42.39
28	B	1705	1620	9.58
29	B	1532	1455	11.29
30	B	1474	1400	0.32
31	B	1347	1280	0.72
32	B	1328	1262	0.24
33	B	1281	1218	0.32
34	B	1200	1140	2.49
35	B	1020	969	37.89
36	B	978	929	3.88
37	B	952	905	0.30
38	B	903	858	72.72
39	B	661	628	24.17
40	B	439	417	1.18
41	B	225	214	0.24
42	B	111	105	0.15

Atom	x (Å)	y (Å)	z (Å)
C1	-0.425	0.640	-0.310
C2	0.425	-0.640	-0.310
C3	0.425	1.878	-0.342
C4	-0.425	-1.878	-0.342
C5	0.447	2.815	0.615
C6	-0.447	-2.815	0.615
H7	-1.090	0.630	-1.185
H8	-1.065	0.650	0.579
H9	1.090	-0.630	-1.185
H10	1.065	-0.650	0.579
H11	1.073	1.990	-1.214
H12	-1.073	-1.990	-1.214
H13	1.090	3.687	0.545
H14	-0.180	2.741	1.500
H15	-1.090	-3.687	0.545
H16	0.180	-2.741	1.500

	C1	C2	C3	C4	C5	C6	H7	H8	H9	H10	H11	H12	H13	H14	H15	H16
C1		1.5377	1.5018	2.5183	2.5190	3.5771	1.0981	1.0957	2.1619	2.1632	2.2098	2.8555	3.5082	2.7840	4.4607	3.8830
C2	1.5377		2.5183	1.5018	3.5771	2.5190	2.1619	2.1632	1.0981	1.0957	2.8555	2.2098	4.4607	3.8830	3.5082	2.7840
C3	1.5018	2.5183		3.8504	1.3401	4.8680	2.1361	2.1394	2.7272	2.7657	1.0917	4.2382	2.1217	2.1231	5.8349	4.9785
C4	2.5183	1.5018	3.8504		4.8680	1.3401	2.7272	2.7657	2.1361	2.1394	4.2382	1.0917	5.8349	4.9785	2.1217	2.1231
C5	2.5190	3.5771	1.3401	4.8680		5.7001	3.2212	2.6406	3.9391	3.5201	2.1020	5.3610	1.0855	1.0872	6.6811	5.6319
C6	3.5771	2.5190	4.8680	1.3401	5.7001		3.9391	3.5201	3.2212	2.6406	5.3610	2.1020	6.6811	5.6319	1.0855	1.0872
H7	1.0981	2.1619	2.1361	2.7272	3.2212	3.9391		1.7638	2.5176	3.0649	2.5555	2.6196	4.1337	3.5347	4.6501	4.4923
H8	1.0957	2.1632	2.1394	2.7657	2.6406	3.5201	1.7638		3.0649	2.4962	3.0954	3.1913	3.7236	2.4500	4.3375	3.7281
H9	2.1619	1.0981	2.7272	2.1361	3.9391	3.2212	2.5176	3.0649		1.7638	2.6196	2.5555	4.6501	4.4923	4.1337	3.5347
H10	2.1632	1.0957	2.7657	2.1394	3.5201	2.6406	3.0649	2.4962	1.7638		3.1913	3.0954	4.3375	3.7281	3.7236	2.4500
H11	2.2098	2.8555	1.0917	4.2382	2.1020	5.3610	2.5555	3.0954	2.6196	3.1913		4.5216	2.4440	3.0825	6.3242	5.5266
H12	2.8555	2.2098	4.2382	1.0917	5.3610	2.1020	2.6196	3.1913	2.5555	3.0954	4.5216		6.3242	5.5266	2.4440	3.0825
H13	3.5082	4.4607	2.1217	5.8349	1.0855	6.6811	4.1337	3.7236	4.6501	4.3375	2.4440	6.3242		1.8493	7.6890	6.5616
H14	2.7840	3.8830	2.1231	4.9785	1.0872	5.6319	3.5347	2.4500	4.4923	3.7281	3.0825	5.5266	1.8493		6.5616	5.4931
H15	4.4607	3.5082	5.8349	2.1217	6.6811	1.0855	4.6501	4.3375	4.1337	3.7236	6.3242	2.4440	7.6890	6.5616		1.8493
H16	3.8830	2.7840	4.9785	2.1231	5.6319	1.0872	4.4923	3.7281	3.5347	2.4500	5.5266	3.0825	6.5616	5.4931	1.8493

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	111.886	C1	C2	H9	109.066
C1	C2	H10	109.309	C1	C3	C5	124.749
C1	C3	H11	115.968	C2	C1	C3	111.886
C2	C1	H7	109.066	C2	C1	H8	109.309
C2	C4	C6	124.749	C2	C4	H12	115.968
C3	C1	H7	109.510	C3	C1	H8	109.919
C3	C5	H13	121.667	C3	C5	H14	121.661
C4	C2	H9	109.510	C4	C2	H10	109.919
C4	C6	H15	121.667	C4	C6	H16	121.661
C5	C3	H11	119.277	C6	C4	H12	119.277
H7	C1	H8	107.025	H9	C2	H10	107.025
H13	C5	H14	116.672	H15	C6	H16	116.672

All results from a given calculation for C₆H₁₀ (1,5-Hexadiene)

using model chemistry: MP2/6-311G*

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 (1,5-Hexadiene)

using model chemistry: MP2/6-311G*

States and conformations

All results from a given calculation for C₆H₁₀ (1,5-Hexadiene)