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	hartrees
Energy at 0K	-233.431555
Energy at 298.15K	-233.441328
HF Energy	-232.891066
Nuclear repulsion energy	210.133744

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3256	3116	11.40
2	A	3166	3029	0.62
3	A	3148	3012	45.82
4	A	3095	2961	36.66
5	A	3028	2897	3.34
6	A	1693	1620	2.98
7	A	1551	1484	1.44
8	A	1511	1446	1.56
9	A	1409	1348	1.07
10	A	1366	1307	0.80
11	A	1276	1221	0.26
12	A	1123	1074	0.13
13	A	1052	1007	1.50
14	A	1034	990	10.94
15	A	975	933	0.00
16	A	939	899	17.18
17	A	801	766	0.45
18	A	637	609	5.99
19	A	427	408	0.01
20	A	355	340	0.13
21	A	93	89	0.01
22	A	73	69	0.01
23	B	3256	3116	42.11
24	B	3166	3029	11.64
25	B	3147	3011	13.90
26	B	3073	2940	0.91
27	B	3035	2904	53.18
28	B	1696	1622	5.28
29	B	1564	1496	6.18
30	B	1514	1448	0.23
31	B	1370	1311	0.70
32	B	1348	1290	0.15
33	B	1328	1271	0.91
34	B	1219	1166	2.19
35	B	1037	993	32.91
36	B	1004	960	2.65
37	B	949	908	0.07
38	B	939	899	68.18
39	B	669	640	19.17
40	B	445	426	1.10
41	B	220	210	0.11
42	B	106	101	0.14

Atom	x (Å)	y (Å)	z (Å)
C1	-0.428	0.652	-0.314
C2	0.428	-0.652	-0.314
C3	0.428	1.903	-0.350
C4	-0.428	-1.903	-0.350
C5	0.458	2.844	0.622
C6	-0.458	-2.844	0.622
H7	-1.110	0.634	-1.182
H8	-1.059	0.662	0.589
H9	1.110	-0.634	-1.182
H10	1.059	-0.662	0.589
H11	1.070	2.021	-1.229
H12	-1.070	-2.021	-1.229
H13	1.099	3.722	0.557
H14	-0.166	2.763	1.515
H15	-1.099	-3.722	0.557
H16	0.166	-2.763	1.515

	C1	C2	C3	C4	C5	C6	H7	H8	H9	H10	H11	H12	H13	H14	H15	H16
C1		1.5590	1.5168	2.5552	2.5434	3.6191	1.1041	1.1026	2.1840	2.1803	2.2259	2.8964	3.5380	2.8060	4.5096	3.9191
C2	1.5590		2.5552	1.5168	3.6191	2.5434	2.1840	2.1803	1.1041	1.1026	2.8964	2.2259	4.5096	3.9191	3.5380	2.8060
C3	1.5168	2.5552		3.9017	1.3530	4.9262	2.1612	2.1530	2.7558	2.8037	1.0950	4.2913	2.1399	2.1370	5.8989	5.0322
C4	2.5552	1.5168	3.9017		4.9262	1.3530	2.7558	2.8037	2.1612	2.1530	4.2913	1.0950	5.8989	5.0322	2.1399	2.1370
C5	2.5434	3.6191	1.3530	4.9262		5.7615	3.2559	2.6580	3.9720	3.5574	2.1165	5.4246	1.0892	1.0913	6.7484	5.6856
C6	3.6191	2.5434	4.9262	1.3530	5.7615		3.9720	3.5574	3.2559	2.6580	5.4246	2.1165	6.7484	5.6856	1.0892	1.0913
H7	1.1041	2.1840	2.1612	2.7558	3.2559	3.9720		1.7727	2.5561	3.0860	2.5843	2.6550	4.1764	3.5638	4.6898	4.5210
H8	1.1026	2.1803	2.1530	2.8037	2.6580	3.5574	1.7727		3.0860	2.4983	3.1124	3.2406	3.7450	2.4641	4.3840	3.7535
H9	2.1840	1.1041	2.7558	2.1612	3.9720	3.2559	2.5561	3.0860		1.7727	2.6550	2.5843	4.6898	4.5210	4.1764	3.5638
H10	2.1803	1.1026	2.8037	2.1530	3.5574	2.6580	3.0860	2.4983	1.7727		3.2406	3.1124	4.3840	3.7535	3.7450	2.4641
H11	2.2259	2.8964	1.0950	4.2913	2.1165	5.4246	2.5843	3.1124	2.6550	3.2406		4.5731	2.4663	3.0990	6.3930	5.5885
H12	2.8964	2.2259	4.2913	1.0950	5.4246	2.1165	2.6550	3.2406	2.5843	3.1124	4.5731		6.3930	5.5885	2.4663	3.0990
H13	3.5380	4.5096	2.1399	5.8989	1.0892	6.7484	4.1764	3.7450	4.6898	4.3840	2.4663	6.3930		1.8536	7.7616	6.6218
H14	2.8060	3.9191	2.1370	5.0322	1.0913	5.6856	3.5638	2.4641	4.5210	3.7535	3.0990	5.5885	1.8536		6.6218	5.5368
H15	4.5096	3.5380	5.8989	2.1399	6.7484	1.0892	4.6898	4.3840	4.1764	3.7450	6.3930	2.4663	7.7616	6.6218		1.8536
H16	3.9191	2.8060	5.0322	2.1370	5.6856	1.0913	4.5210	3.7535	3.5638	2.4641	5.5885	3.0990	6.6218	5.5368	1.8536

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	112.342	C1	C2	H9	108.995
C1	C2	H10	108.794	C1	C3	C5	124.719
C1	C3	H11	115.978	C2	C1	C3	112.342
C2	C1	H7	108.995	C2	C1	H8	108.794
C2	C4	C6	124.719	C2	C4	H12	115.978
C3	C1	H7	110.102	C3	C1	H8	109.546
C3	C5	H13	122.006	C3	C5	H14	121.554
C4	C2	H9	110.102	C4	C2	H10	109.546
C4	C6	H15	122.006	C4	C6	H16	121.554
C5	C3	H11	119.294	C6	C4	H12	119.294
H7	C1	H8	106.904	H9	C2	H10	106.904
H13	C5	H14	116.440	H15	C6	H16	116.440

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

using model chemistry: MP2/6-31G

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 C6H10 (1,5-Hexadiene)

using model chemistry: MP2/6-31G

States and conformations

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