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	hartrees
Energy at 0K	-233.828813
Energy at 298.15K	-233.838605
HF Energy	-232.982036
Nuclear repulsion energy	212.372693

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3290	3087	7.62
2	A	3208	3010	0.73
3	A	3191	2994	33.77
4	A	3145	2951	27.28
5	A	3078	2889	5.96
6	A	1768	1659	3.30
7	A	1546	1450	2.21
8	A	1505	1412	2.78
9	A	1424	1336	0.31
10	A	1361	1277	1.13
11	A	1281	1202	0.14
12	A	1125	1056	0.08
13	A	1083	1017	2.19
14	A	1039	975	9.02
15	A	980	920	0.01
16	A	942	884	16.16
17	A	802	752	0.41
18	A	644	604	6.20
19	A	428	401	0.01
20	A	359	337	0.09
21	A	98	92	0.01
22	A	75	70	0.01
23	B	3290	3087	29.06
24	B	3208	3010	7.84
25	B	3191	2994	12.57
26	B	3127	2934	3.71
27	B	3083	2893	39.79
28	B	1771	1662	7.15
29	B	1559	1462	7.06
30	B	1504	1411	0.19
31	B	1369	1284	0.60
32	B	1349	1266	0.18
33	B	1310	1229	2.06
34	B	1220	1145	1.80
35	B	1041	977	26.60
36	B	997	935	2.43
37	B	964	905	0.12
38	B	942	884	60.91
39	B	671	629	16.61
40	B	446	419	1.50
41	B	223	209	0.19
42	B	110	103	0.13

Atom	x (Å)	y (Å)	z (Å)
C1	-0.424	0.641	-0.310
C2	0.424	-0.641	-0.310
C3	0.424	1.882	-0.343
C4	-0.424	-1.882	-0.343
C5	0.443	2.811	0.614
C6	-0.443	-2.811	0.614
H7	-1.093	0.628	-1.182
H8	-1.064	0.653	0.579
H9	1.093	-0.628	-1.182
H10	1.064	-0.653	0.579
H11	1.071	1.998	-1.212
H12	-1.071	-1.998	-1.212
H13	1.081	3.686	0.550
H14	-0.184	2.732	1.498
H15	-1.081	-3.686	0.550
H16	0.184	-2.732	1.498

	C1	C2	C3	C4	C5	C6	H7	H8	H9	H10	H11	H12	H13	H14	H15	H16
C1		1.5376	1.5024	2.5234	2.5121	3.5737	1.0988	1.0961	2.1609	2.1631	2.2110	2.8635	3.5036	2.7741	4.4612	3.8752
C2	1.5376		2.5234	1.5024	3.5737	2.5121	2.1609	2.1631	1.0988	1.0961	2.8635	2.2110	4.4612	3.8752	3.5036	2.7741
C3	1.5024	2.5234		3.8576	1.3335	4.8667	2.1392	2.1388	2.7291	2.7717	1.0907	4.2476	2.1178	2.1166	5.8365	4.9728
C4	2.5234	1.5024	3.8576		4.8667	1.3335	2.7291	2.7717	2.1392	2.1388	4.2476	1.0907	5.8365	4.9728	2.1178	2.1166
C5	2.5121	3.5737	1.3335	4.8667		5.6908	3.2169	2.6326	3.9329	3.5186	2.0954	5.3619	1.0854	1.0870	6.6738	5.6184
C6	3.5737	2.5121	4.8667	1.3335	5.6908		3.9329	3.5186	3.2169	2.6326	5.3619	2.0954	6.6738	5.6184	1.0854	1.0870
H7	1.0988	2.1609	2.1392	2.7291	3.2169	3.9329		1.7615	2.5202	3.0646	2.5615	2.6256	4.1327	3.5262	4.6485	4.4829
H8	1.0961	2.1631	2.1388	2.7717	2.6326	3.5186	1.7615		3.0646	2.4964	3.0952	3.1992	3.7158	2.4374	4.3391	3.7222
H9	2.1609	1.0988	2.7291	2.1392	3.9329	3.2169	2.5202	3.0646		1.7615	2.6256	2.5615	4.6485	4.4829	4.1327	3.5262
H10	2.1631	1.0961	2.7717	2.1388	3.5186	2.6326	3.0646	2.4964	1.7615		3.1992	3.0952	4.3391	3.7222	3.7158	2.4374
H11	2.2110	2.8635	1.0907	4.2476	2.0954	5.3619	2.5615	3.0952	2.6256	3.1992		4.5338	2.4406	3.0760	6.3283	5.5229
H12	2.8635	2.2110	4.2476	1.0907	5.3619	2.0954	2.6256	3.1992	2.5615	3.0952	4.5338		6.3283	5.5229	2.4406	3.0760
H13	3.5036	4.4612	2.1178	5.8365	1.0854	6.6738	4.1327	3.7158	4.6485	4.3391	2.4406	6.3283		1.8472	7.6834	6.5495
H14	2.7741	3.8752	2.1166	4.9728	1.0870	5.6184	3.5262	2.4374	4.4829	3.7222	3.0760	5.5229	1.8472		6.5495	5.4758
H15	4.4612	3.5036	5.8365	2.1178	6.6738	1.0854	4.6485	4.3391	4.1327	3.7158	6.3283	2.4406	7.6834	6.5495		1.8472
H16	3.8752	2.7741	4.9728	2.1166	5.6184	1.0870	4.4829	3.7222	3.5262	2.4374	5.5229	3.0760	6.5495	5.4758	1.8472

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	112.209	C1	C2	H9	108.964
C1	C2	H10	109.292	C1	C3	C5	124.597
C1	C3	H11	116.105	C2	C1	C3	112.209
C2	C1	H7	108.964	C2	C1	H8	109.292
C2	C4	C6	124.597	C2	C4	H12	116.105
C3	C1	H7	109.673	C3	C1	H8	109.801
C3	C5	H13	121.885	C3	C5	H14	121.628
C4	C2	H9	109.673	C4	C2	H10	109.801
C4	C6	H15	121.885	C4	C6	H16	121.628
C5	C3	H11	119.290	C6	C4	H12	119.290
H7	C1	H8	106.747	H9	C2	H10	106.747
H13	C5	H14	116.486	H15	C6	H16	116.486

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

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

States and conformations

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