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	hartrees
Energy at 0K	-230.520617
Energy at 298.15K	-230.530050
HF Energy	-230.166469
Nuclear repulsion energy	208.895385

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3613	3212	0.31
2	A	3517	3126	5.38
3	A	3503	3114	0.24
4	A	3457	3073	3.20
5	A	3391	3015	0.27
6	A	1824	1621	0.17
7	A	1700	1512	0.60
8	A	1615	1436	0.07
9	A	1540	1369	1.14
10	A	1429	1271	0.54
11	A	1365	1214	0.60
12	A	1186	1054	0.26
13	A	1159	1030	0.00
14	A	1132	1006	2.48
15	A	1027	913	0.02
16	A	995	885	4.88
17	A	852	757	1.27
18	A	665	591	2.44
19	A	431	383	0.03
20	A	362	322	0.02
21	A	90	80	0.01
22	A	68	60	0.01
23	B	3613	3212	0.71
24	B	3508	3119	2.98
25	B	3501	3112	3.16
26	B	3457	3073	9.36
27	B	3396	3019	7.78
28	B	1826	1623	0.17
29	B	1719	1528	0.27
30	B	1609	1430	2.90
31	B	1458	1296	0.03
32	B	1439	1279	0.72
33	B	1408	1252	21.89
34	B	1287	1144	0.13
35	B	1137	1011	5.59
36	B	1053	936	0.76
37	B	1009	896	0.39
38	B	995	885	19.14
39	B	696	618	5.95
40	B	444	395	0.63
41	B	222	197	0.04
42	B	102	90	0.03

Atom	x (Å)	y (Å)	z (Å)
C1	-0.436	0.654	-0.327
C2	0.436	-0.654	-0.327
C3	0.436	1.924	-0.347
C4	-0.436	-1.924	-0.347
C5	0.455	2.846	0.636
C6	-0.455	-2.846	0.636
H7	-1.096	0.642	-1.218
H8	-1.085	0.665	0.569
H9	1.096	-0.642	-1.218
H10	1.085	-0.665	0.569
H11	1.085	2.052	-1.229
H12	-1.085	-2.052	-1.229
H13	1.099	3.734	0.582
H14	-0.177	2.748	1.529
H15	-1.099	-3.734	0.582
H16	0.177	-2.748	1.529

	C1	C2	C3	C4	C5	C6	H7	H8	H9	H10	H11	H12	H13	H14	H15	H16
C1		1.5726	1.5405	2.5779	2.5547	3.6305	1.1084	1.1065	2.1957	2.2043	2.2545	2.9256	3.5595	2.8108	4.5303	3.9244
C2	1.5726		2.5779	1.5405	3.6305	2.5547	2.1957	2.2043	1.1084	1.1065	2.9256	2.2545	4.5303	3.9244	3.5595	2.8108
C3	1.5405	2.5779		3.9450	1.3482	4.9509	2.1789	2.1765	2.7888	2.8218	1.1022	4.3475	2.1402	2.1394	5.9355	5.0415
C4	2.5779	1.5405	3.9450		4.9509	1.3482	2.7888	2.8218	2.1789	2.1765	4.3475	1.1022	5.9355	5.0415	2.1402	2.1394
C5	2.5547	3.6305	1.3482	4.9509		5.7646	3.2710	2.6707	4.0021	3.5681	2.1222	5.4630	1.0982	1.0985	6.7614	5.6723
C6	3.6305	2.5547	4.9509	1.3482	5.7646		4.0021	3.5681	3.2710	2.6707	5.4630	2.1222	6.7614	5.6723	1.0982	1.0985
H7	1.1084	2.1957	2.1789	2.7888	3.2710	4.0021		1.7872	2.5401	3.1079	2.5973	2.6946	4.1973	3.5819	4.7322	4.5458
H8	1.1065	2.2043	2.1765	2.8218	2.6707	3.5681	1.7872		3.1079	2.5458	3.1411	3.2582	3.7667	2.4674	4.3994	3.7640
H9	2.1957	1.1084	2.7888	2.1789	4.0021	3.2710	2.5401	3.1079		1.7872	2.6946	2.5973	4.7322	4.5458	4.1973	3.5819
H10	2.2043	1.1065	2.8218	2.1765	3.5681	2.6707	3.1079	2.5458	1.7872		3.2582	3.1411	4.3994	3.7640	3.7667	2.4674
H11	2.2545	2.9256	1.1022	4.3475	2.1222	5.4630	2.5973	3.1411	2.6946	3.2582		4.6435	2.4713	3.1118	6.4446	5.6107
H12	2.9256	2.2545	4.3475	1.1022	5.4630	2.1222	2.6946	3.2582	2.5973	3.1411	4.6435		6.4446	5.6107	2.4713	3.1118
H13	3.5595	4.5303	2.1402	5.9355	1.0982	6.7614	4.1973	3.7667	4.7322	4.3994	2.4713	6.4446		1.8696	7.7849	6.6160
H14	2.8108	3.9244	2.1394	5.0415	1.0985	5.6723	3.5819	2.4674	4.5458	3.7640	3.1118	5.6107	1.8696		6.6160	5.5082
H15	4.5303	3.5595	5.9355	2.1402	6.7614	1.0982	4.7322	4.3994	4.1973	3.7667	6.4446	2.4713	7.7849	6.6160		1.8696
H16	3.9244	2.8108	5.0415	2.1394	5.6723	1.0985	4.5458	3.7640	3.5819	2.4674	5.6107	3.1118	6.6160	5.5082	1.8696

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	111.798	C1	C2	H9	108.729
C1	C2	H10	109.494	C1	C3	C5	124.219
C1	C3	H11	116.110	C2	C1	C3	111.798
C2	C1	H7	108.729	C2	C1	H8	109.494
C2	C4	C6	124.219	C2	C4	H12	116.110
C3	C1	H7	109.605	C3	C1	H8	109.531
C3	C5	H13	121.722	C3	C5	H14	121.615
C4	C2	H9	109.605	C4	C2	H10	109.531
C4	C6	H15	121.722	C4	C6	H16	121.615
C5	C3	H11	119.667	C6	C4	H12	119.667
H7	C1	H8	107.586	H9	C2	H10	107.586
H13	C5	H14	116.662	H15	C6	H16	116.662

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

using model chemistry: MP2=FULL/STO-3G

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=FULL/STO-3G

States and conformations

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