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	hartrees
Energy at 0K	-233.911524
Energy at 298.15K	-233.921296
HF Energy	-233.006759
Nuclear repulsion energy	211.923512

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3298	3118	8.60
2	A	3210	3035	0.06
3	A	3197	3022	39.41
4	A	3143	2972	29.94
5	A	3074	2906	6.59
6	A	1734	1639	4.29
7	A	1528	1445	3.06
8	A	1496	1414	1.57
9	A	1412	1335	0.25
10	A	1347	1273	0.75
11	A	1269	1200	0.00
12	A	1111	1051	0.17
13	A	1073	1015	2.48
14	A	1024	968	11.43
15	A	970	917	0.01
16	A	931	880	19.65
17	A	794	750	0.07
18	A	634	600	6.71
19	A	420	397	0.11
20	A	356	337	0.13
21	A	98	93	0.04
22	A	76	71	0.02
23	B	3298	3118	31.24
24	B	3210	3035	10.59
25	B	3196	3022	11.99
26	B	3124	2954	4.64
27	B	3078	2910	45.19
28	B	1737	1642	14.57
29	B	1539	1455	6.13
30	B	1496	1414	0.14
31	B	1354	1280	0.35
32	B	1336	1263	0.04
33	B	1303	1231	5.11
34	B	1208	1143	1.09
35	B	1027	971	36.07
36	B	984	930	1.45
37	B	955	903	0.03
38	B	931	880	66.56
39	B	660	624	20.76
40	B	441	417	1.36
41	B	217	206	0.21
42	B	113	107	0.17

Atom	x (Å)	y (Å)	z (Å)
C1	-0.424	0.642	-0.305
C2	0.424	-0.642	-0.305
C3	0.424	1.886	-0.342
C4	-0.424	-1.886	-0.342
C5	0.431	2.831	0.609
C6	-0.431	-2.831	0.609
H7	-1.090	0.628	-1.176
H8	-1.061	0.657	0.584
H9	1.090	-0.628	-1.176
H10	1.061	-0.657	0.584
H11	1.077	1.998	-1.204
H12	-1.077	-1.998	-1.204
H13	1.068	3.704	0.537
H14	-0.203	2.757	1.485
H15	-1.068	-3.704	0.537
H16	0.203	-2.757	1.485

	C1	C2	C3	C4	C5	C6	H7	H8	H9	H10	H11	H12	H13	H14	H15	H16
C1		1.5391	1.5051	2.5285	2.5215	3.5921	1.0964	1.0938	2.1591	2.1638	2.2132	2.8647	3.5080	2.7795	4.4737	3.8930
C2	1.5391		2.5285	1.5051	3.5921	2.5215	2.1591	2.1638	1.0964	1.0938	2.8647	2.2132	4.4737	3.8930	3.5080	2.7795
C3	1.5051	2.5285		3.8656	1.3413	4.8874	2.1375	2.1383	2.7306	2.7797	1.0877	4.2518	2.1197	2.1192	5.8516	4.9944
C4	2.5285	1.5051	3.8656		4.8874	1.3413	2.7306	2.7797	2.1375	2.1383	4.2518	1.0877	5.8516	4.9944	2.1197	2.1192
C5	2.5215	3.5921	1.3413	4.8874		5.7279	3.2181	2.6377	3.9478	3.5445	2.0979	5.3744	1.0824	1.0841	6.7052	5.6613
C6	3.5921	2.5215	4.8874	1.3413	5.7279		3.9478	3.5445	3.2181	2.6377	5.3744	2.0979	6.7052	5.6613	1.0824	1.0841
H7	1.0964	2.1591	2.1375	2.7306	3.2181	3.9478		1.7599	2.5151	3.0613	2.5639	2.6256	4.1295	3.5216	4.6580	4.4955
H8	1.0938	2.1638	2.1383	2.7797	2.6377	3.5445	1.7599		3.0613	2.4958	3.0932	3.2003	3.7175	2.4415	4.3606	3.7504
H9	2.1591	1.0964	2.7306	2.1375	3.9478	3.2181	2.5151	3.0613		1.7599	2.6256	2.5639	4.6580	4.4955	4.1295	3.5216
H10	2.1638	1.0938	2.7797	2.1383	3.5445	2.6377	3.0613	2.4958	1.7599		3.2003	3.0932	4.3606	3.7504	3.7175	2.4415
H11	2.2132	2.8647	1.0877	4.2518	2.0979	5.3744	2.5639	3.0932	2.6256	3.2003		4.5394	2.4380	3.0740	6.3357	5.5322
H12	2.8647	2.2132	4.2518	1.0877	5.3744	2.0979	2.6256	3.2003	2.5639	3.0932	4.5394		6.3357	5.5322	2.4380	3.0740
H13	3.5080	4.4737	2.1197	5.8516	1.0824	6.7052	4.1295	3.7175	4.6580	4.3606	2.4380	6.3357		1.8466	7.7092	6.5870
H14	2.7795	3.8930	2.1192	4.9944	1.0841	5.6613	3.5216	2.4415	4.4955	3.7504	3.0740	5.5322	1.8466		6.5870	5.5292
H15	4.4737	3.5080	5.8516	2.1197	6.7052	1.0824	4.6580	4.3606	4.1295	3.7175	6.3357	2.4380	7.7092	6.5870		1.8466
H16	3.8930	2.7795	4.9944	2.1192	5.6613	1.0841	4.4955	3.7504	3.5216	2.4415	5.5322	3.0740	6.5870	5.5292	1.8466

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	112.313	C1	C2	H9	108.855
C1	C2	H10	109.372	C1	C3	C5	124.617
C1	C3	H11	116.279	C2	C1	C3	112.313
C2	C1	H7	108.855	C2	C1	H8	109.372
C2	C4	C6	124.617	C2	C4	H12	116.279
C3	C1	H7	109.493	C3	C1	H8	109.718
C3	C5	H13	121.625	C3	C5	H14	121.433
C4	C2	H9	109.493	C4	C2	H10	109.718
C4	C6	H15	121.625	C4	C6	H16	121.433
C5	C3	H11	119.099	C6	C4	H12	119.099
H7	C1	H8	106.940	H9	C2	H10	106.940
H13	C5	H14	116.941	H15	C6	H16	116.941

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

using model chemistry: QCISD/6-31+G**

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: QCISD/6-31+G**

States and conformations

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