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	hartrees
Energy at 0K	-233.930387
Energy at 298.15K	-233.940202
HF Energy	-233.007373
Nuclear repulsion energy	212.523431

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3332	3104	7.80
2	A	3242	3021	0.03
3	A	3229	3009	36.29
4	A	3178	2961	28.74
5	A	3107	2895	5.53
6	A	1758	1638	3.92
7	A	1537	1431	3.41
8	A	1505	1402	1.68
9	A	1421	1324	0.12
10	A	1357	1264	0.87
11	A	1277	1190	0.00
12	A	1118	1042	0.14
13	A	1081	1007	2.50
14	A	1036	965	11.57
15	A	978	911	0.00
16	A	940	876	20.00
17	A	798	744	0.08
18	A	641	597	7.02
19	A	424	395	0.10
20	A	358	334	0.13
21	A	99	92	0.04
22	A	76	71	0.02
23	B	3332	3104	28.84
24	B	3242	3020	9.27
25	B	3229	3008	11.42
26	B	3159	2943	3.96
27	B	3112	2899	42.64
28	B	1761	1641	14.35
29	B	1547	1441	6.98
30	B	1506	1403	0.08
31	B	1364	1271	0.45
32	B	1344	1252	0.02
33	B	1309	1219	4.05
34	B	1216	1133	1.23
35	B	1039	968	37.23
36	B	990	922	1.90
37	B	963	897	0.04
38	B	940	876	70.13
39	B	667	621	22.07
40	B	444	414	1.41
41	B	220	205	0.22
42	B	114	106	0.18

Atom	x (Å)	y (Å)	z (Å)
C1	-0.423	0.642	-0.306
C2	0.423	-0.642	-0.306
C3	0.423	1.882	-0.343
C4	-0.423	-1.882	-0.343
C5	0.436	2.818	0.611
C6	-0.436	-2.818	0.611
H7	-1.088	0.626	-1.174
H8	-1.057	0.656	0.581
H9	1.088	-0.626	-1.174
H10	1.057	-0.656	0.581
H11	1.070	1.998	-1.206
H12	-1.070	-1.998	-1.206
H13	1.071	3.688	0.541
H14	-0.192	2.738	1.487
H15	-1.071	-3.688	0.541
H16	0.192	-2.738	1.487

	C1	C2	C3	C4	C5	C6	H7	H8	H9	H10	H11	H12	H13	H14	H15	H16
C1		1.5369	1.5019	2.5239	2.5129	3.5787	1.0933	1.0907	2.1548	2.1589	2.2087	2.8626	3.4973	2.7682	4.4592	3.8747
C2	1.5369		2.5239	1.5019	3.5787	2.5129	2.1548	2.1589	1.0933	1.0907	2.8626	2.2087	4.4592	3.8747	3.4973	2.7682
C3	1.5019	2.5239		3.8579	1.3363	4.8719	2.1330	2.1328	2.7246	2.7743	1.0848	4.2457	2.1128	2.1119	5.8344	4.9745
C4	2.5239	1.5019	3.8579		4.8719	1.3363	2.7246	2.7743	2.1330	2.1328	4.2457	1.0848	5.8344	4.9745	2.1128	2.1119
C5	2.5129	3.5787	1.3363	4.8719		5.7025	3.2110	2.6278	3.9331	3.5286	2.0916	5.3627	1.0795	1.0812	6.6785	5.6294
C6	3.5787	2.5129	4.8719	1.3363	5.7025		3.9331	3.5286	3.2110	2.6278	5.3627	2.0916	6.6785	5.6294	1.0795	1.0812
H7	1.0933	2.1548	2.1330	2.7246	3.2110	3.9331		1.7553	2.5107	3.0536	2.5572	2.6242	4.1203	3.5130	4.6427	4.4760
H8	1.0907	2.1589	2.1328	2.7743	2.6278	3.5286	1.7553		3.0536	2.4880	3.0854	3.1992	3.7048	2.4299	4.3441	3.7278
H9	2.1548	1.0933	2.7246	2.1330	3.9331	3.2110	2.5107	3.0536		1.7553	2.6242	2.5572	4.6427	4.4760	4.1203	3.5130
H10	2.1589	1.0907	2.7743	2.1328	3.5286	2.6278	3.0536	2.4880	1.7553		3.1992	3.0854	4.3441	3.7278	3.7048	2.4299
H11	2.2087	2.8626	1.0848	4.2457	2.0916	5.3627	2.5572	3.0854	2.6242	3.1992		4.5326	2.4311	3.0648	6.3218	5.5181
H12	2.8626	2.2087	4.2457	1.0848	5.3627	2.0916	2.6242	3.1992	2.5572	3.0854	4.5326		6.3218	5.5181	2.4311	3.0648
H13	3.4973	4.4592	2.1128	5.8344	1.0795	6.6785	4.1203	3.7048	4.6427	4.3441	2.4311	6.3218		1.8419	7.6809	6.5544
H14	2.7682	3.8747	2.1119	4.9745	1.0812	5.6294	3.5130	2.4299	4.4760	3.7278	3.0648	5.5181	1.8419		6.5544	5.4890
H15	4.4592	3.4973	5.8344	2.1128	6.6785	1.0795	4.6427	4.3441	4.1203	3.7048	6.3218	2.4311	7.6809	6.5544		1.8419
H16	3.8747	2.7682	4.9745	2.1119	5.6294	1.0812	4.4760	3.7278	3.5130	2.4299	5.5181	3.0648	6.5544	5.4890	1.8419

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	112.308	C1	C2	H9	108.850
C1	C2	H10	109.323	C1	C3	C5	124.495
C1	C3	H11	116.343	C2	C1	C3	112.308
C2	C1	H7	108.850	C2	C1	H8	109.323
C2	C4	C6	124.495	C2	C4	H12	116.343
C3	C1	H7	109.547	C3	C1	H8	109.686
C3	C5	H13	121.633	C3	C5	H14	121.401
C4	C2	H9	109.547	C4	C2	H10	109.686
C4	C6	H15	121.633	C4	C6	H16	121.401
C5	C3	H11	119.155	C6	C4	H12	119.155
H7	C1	H8	106.978	H9	C2	H10	106.978
H13	C5	H14	116.965	H15	C6	H16	116.965

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

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

States and conformations

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