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	hartrees
Energy at 0K	-233.899713
Energy at 298.15K	-233.909516
HF Energy	-233.007216
Nuclear repulsion energy	212.301807

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3329	3098	7.84
2	A	3240	3015	0.01
3	A	3227	3003	36.16
4	A	3174	2954	29.22
5	A	3104	2889	5.67
6	A	1755	1633	3.84
7	A	1535	1428	3.34
8	A	1503	1398	1.71
9	A	1419	1320	0.13
10	A	1355	1261	0.88
11	A	1275	1186	0.00
12	A	1116	1039	0.15
13	A	1079	1004	2.49
14	A	1033	961	11.85
15	A	976	908	0.01
16	A	936	871	20.05
17	A	797	741	0.08
18	A	639	595	7.04
19	A	423	393	0.10
20	A	357	333	0.14
21	A	98	92	0.04
22	A	76	71	0.02
23	B	3329	3098	29.28
24	B	3240	3014	9.47
25	B	3227	3003	11.48
26	B	3155	2936	4.19
27	B	3109	2893	42.75
28	B	1758	1636	14.16
29	B	1545	1438	6.78
30	B	1503	1399	0.10
31	B	1362	1268	0.45
32	B	1342	1248	0.01
33	B	1307	1216	4.42
34	B	1215	1130	1.19
35	B	1036	964	37.79
36	B	989	920	1.81
37	B	961	895	0.04
38	B	936	871	69.25
39	B	665	619	21.97
40	B	444	413	1.42
41	B	219	204	0.22
42	B	114	106	0.18

Atom	x (Å)	y (Å)	z (Å)
C1	-0.423	0.642	-0.307
C2	0.423	-0.642	-0.307
C3	0.423	1.884	-0.343
C4	-0.423	-1.884	-0.343
C5	0.433	2.822	0.612
C6	-0.433	-2.822	0.612
H7	-1.088	0.628	-1.176
H8	-1.059	0.656	0.581
H9	1.088	-0.628	-1.176
H10	1.059	-0.656	0.581
H11	1.074	2.000	-1.204
H12	-1.074	-2.000	-1.204
H13	1.068	3.693	0.543
H14	-0.199	2.742	1.487
H15	-1.068	-3.693	0.543
H16	0.199	-2.742	1.487

	C1	C2	C3	C4	C5	C6	H7	H8	H9	H10	H11	H12	H13	H14	H15	H16
C1		1.5385	1.5035	2.5268	2.5152	3.5836	1.0944	1.0918	2.1570	2.1610	2.2109	2.8648	3.5006	2.7706	4.4647	3.8804
C2	1.5385		2.5268	1.5035	3.5836	2.5152	2.1570	2.1610	1.0944	1.0918	2.8648	2.2109	4.4647	3.8804	3.5006	2.7706
C3	1.5035	2.5268		3.8624	1.3376	4.8773	2.1352	2.1348	2.7287	2.7765	1.0857	4.2506	2.1148	2.1140	5.8408	4.9797
C4	2.5268	1.5035	3.8624		4.8773	1.3376	2.7287	2.7765	2.1352	2.1348	4.2506	1.0857	5.8408	4.9797	2.1148	2.1140
C5	2.5152	3.5836	1.3376	4.8773		5.7092	3.2131	2.6298	3.9397	3.5336	2.0937	5.3676	1.0804	1.0822	6.6856	5.6367
C6	3.5836	2.5152	4.8773	1.3376	5.7092		3.9397	3.5336	3.2131	2.6298	5.3676	2.0937	6.6856	5.6367	1.0804	1.0822
H7	1.0944	2.1570	2.1352	2.7287	3.2131	3.9397		1.7572	2.5125	3.0567	2.5609	2.6273	4.1235	3.5145	4.6502	4.4833
H8	1.0918	2.1610	2.1348	2.7765	2.6298	3.5336	1.7572		3.0567	2.4910	3.0884	3.1996	3.7078	2.4313	4.3492	3.7348
H9	2.1570	1.0944	2.7287	2.1352	3.9397	3.2131	2.5125	3.0567		1.7572	2.6273	2.5609	4.6502	4.4833	4.1235	3.5145
H10	2.1610	1.0918	2.7765	2.1348	3.5336	2.6298	3.0567	2.4910	1.7572		3.1996	3.0884	4.3492	3.7348	3.7078	2.4313
H11	2.2109	2.8648	1.0857	4.2506	2.0937	5.3676	2.5609	3.0884	2.6273	3.1996		4.5393	2.4334	3.0677	6.3282	5.5215
H12	2.8648	2.2109	4.2506	1.0857	5.3676	2.0937	2.6273	3.1996	2.5609	3.0884	4.5393		6.3282	5.5215	2.4334	3.0677
H13	3.5006	4.4647	2.1148	5.8408	1.0804	6.6856	4.1235	3.7078	4.6502	4.3492	2.4334	6.3282		1.8437	7.6887	6.5615
H14	2.7706	3.8804	2.1140	4.9797	1.0822	5.6367	3.5145	2.4313	4.4833	3.7348	3.0677	5.5215	1.8437		6.5615	5.4982
H15	4.4647	3.5006	5.8408	2.1148	6.6856	1.0804	4.6502	4.3492	4.1235	3.7078	6.3282	2.4334	7.6887	6.5615		1.8437
H16	3.8804	2.7706	4.9797	2.1140	5.6367	1.0822	4.4833	3.7348	3.5145	2.4313	5.5215	3.0677	6.5615	5.4982	1.8437

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	112.325	C1	C2	H9	108.851
C1	C2	H10	109.316	C1	C3	C5	124.475
C1	C3	H11	116.353	C2	C1	C3	112.325
C2	C1	H7	108.851	C2	C1	H8	109.316
C2	C4	C6	124.475	C2	C4	H12	116.353
C3	C1	H7	109.547	C3	C1	H8	109.669
C3	C5	H13	121.625	C3	C5	H14	121.400
C4	C2	H9	109.547	C4	C2	H10	109.669
C4	C6	H15	121.625	C4	C6	H16	121.400
C5	C3	H11	119.166	C6	C4	H12	119.166
H7	C1	H8	106.985	H9	C2	H10	106.985
H13	C5	H14	116.975	H15	C6	H16	116.975

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

using model chemistry: MP3/6-31+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: MP3/6-31+G**

States and conformations

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