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	hartrees
Energy at 0K	-195.902428
Energy at 298.15K	-195.912088
HF Energy	-195.165712
Nuclear repulsion energy	173.348654

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3182	3051	36.49
2	A	3170	3040	22.96
3	A	3158	3029	9.47
4	A	3154	3024	15.37
5	A	3053	2928	26.71
6	A	3045	2921	40.59
7	A	3039	2914	30.44
8	A	1727	1656	1.05
9	A	1488	1427	11.09
10	A	1486	1425	1.14
11	A	1471	1411	1.46
12	A	1407	1350	5.38
13	A	1403	1345	0.49
14	A	1394	1337	4.34
15	A	1352	1297	1.77
16	A	1245	1194	3.56
17	A	1138	1092	7.10
18	A	1064	1021	4.85
19	A	969	929	2.73
20	A	960	920	0.31
21	A	777	746	1.34
22	A	518	497	1.69
23	A	380	364	0.25
24	A	297	285	0.22
25	A	3122	2994	16.04
26	A	3113	2986	25.28
27	A	3112	2984	13.71
28	A	1479	1418	18.40
29	A	1467	1407	0.60
30	A	1456	1396	0.33
31	A	1083	1039	0.84
32	A	1042	999	1.38
33	A	1001	960	2.66
34	A	807	774	12.80
35	A	433	416	3.40
36	A	266	255	1.51
37	A	187	180	1.38
38	A	119	115	0.75
39	A	67	65	0.03

Atom	x (Å)	y (Å)	z (Å)
C1	-1.510	0.494	0.000
H2	-1.969	-0.504	0.000
H3	-1.876	1.041	0.887
H4	-1.876	1.041	-0.887
C5	0.262	-2.104	0.000
H6	0.640	-2.642	-0.886
H7	0.640	-2.642	0.886
H8	-0.834	-2.181	0.000
C9	0.748	-0.677	0.000
H10	1.838	-0.549	0.000
C11	0.000	0.456	0.000
C12	0.661	1.816	0.000
H13	1.759	1.732	0.000
H14	0.356	2.398	0.887
H15	0.356	2.398	-0.887

	C1	H2	H3	H4	C5	H6	H7	H8	C9	H10	C11	C12	H13	H14	H15
C1		1.0980	1.1043	1.1043	3.1447	3.9036	3.9036	2.7590	2.5431	3.5070	1.5105	2.5420	3.4953	2.8098	2.8098
H2	1.0980		1.7832	1.7832	2.7463	3.4879	3.4879	2.0259	2.7226	3.8082	2.1908	3.5070	4.3469	3.8228	3.8228
H3	1.1043	1.7832		1.7731	3.9050	4.7994	4.4600	3.5005	3.2590	4.1367	2.1559	2.7973	3.8047	2.6123	3.1575
H4	1.1043	1.7832	1.7731		3.9050	4.4600	4.7994	3.5005	3.2590	4.1367	2.1559	2.7973	3.8047	3.1575	2.6123
C5	3.1447	2.7463	3.9050	3.9050		1.1033	1.1033	1.0987	1.5072	2.2140	2.5734	3.9397	4.1171	4.5896	4.5896
H6	3.9036	3.4879	4.7994	4.4600	1.1033		1.7727	1.7801	2.1581	2.5694	3.2850	4.5446	4.6005	5.3504	5.0479
H7	3.9036	3.4879	4.4600	4.7994	1.1033	1.7727		1.7801	2.1581	2.5694	3.2850	4.5446	4.6005	5.0479	5.3504
H8	2.7590	2.0259	3.5005	3.5005	1.0987	1.7801	1.7801		2.1823	3.1311	2.7657	4.2670	4.6936	4.8136	4.8136
C9	2.5431	2.7226	3.2590	3.2590	1.5072	2.1581	2.1581	2.1823		1.0983	1.3574	2.4940	2.6123	3.2244	3.2244
H10	3.5070	3.8082	4.1367	4.1367	2.2140	2.5694	2.5694	3.1311	1.0983		2.0952	2.6414	2.2821	3.4163	3.4163
C11	1.5105	2.1908	2.1559	2.1559	2.5734	3.2850	3.2850	2.7657	1.3574	2.0952		1.5118	2.1726	2.1646	2.1646
C12	2.5420	3.5070	2.7973	2.7973	3.9397	4.5446	4.5446	4.2670	2.4940	2.6414	1.5118		1.1007	1.1044	1.1044
H13	3.4953	4.3469	3.8047	3.8047	4.1171	4.6005	4.6005	4.6936	2.6123	2.2821	2.1726	1.1007		1.7887	1.7887
H14	2.8098	3.8228	2.6123	3.1575	4.5896	5.3504	5.0479	4.8136	3.2244	3.4163	2.1646	1.1044	1.7887		1.7743
H15	2.8098	3.8228	3.1575	2.6123	4.5896	5.0479	5.3504	4.8136	3.2244	3.4163	2.1646	1.1044	1.7887	1.7743

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C11	C9	124.847	C1	C11	C12	114.510
H2	C1	H3	108.135	H2	C1	H4	108.135
H2	C1	C11	113.308	H3	C1	H4	106.804
H3	C1	C11	110.111	H4	C1	C11	110.111
C5	C9	H10	115.469	C5	C9	C11	127.803
H6	C5	H7	106.904	H6	C5	H8	107.878
H6	C5	C9	110.572	H7	C5	H8	107.878
H7	C5	C9	110.572	H8	C5	C9	112.806
C9	C11	C12	120.643	H10	C9	C11	116.729
C11	C12	H13	111.568	C11	C12	H14	110.695
C11	C12	H15	110.695	H13	C12	H14	108.420
H13	C12	H15	108.420	H14	C12	H15	106.885

All results from a given calculation for C₅H₁₀ (2-Butene, 2-methyl-)

using model chemistry: MP2/aug-cc-pVDZ

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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Calc. vs exp. Bad Vib. HF vs MP2 Bad scale factors Low excited states Oddities NaCN Is not linear FAQ Help Units Choose Units Energy Bond length Rotational Constant Moment of Inertia Dipole and Quadrupole Polarizability Explanations Hartree cm-1 Debye Credits Just show me Show me a calculated geometry Summary Using older interface Limit Basis sets Method options List Recent molecules Choose a few Molecules Number of atoms By heavy atoms Diatomics InChI Deuterated Dimers Geometry Point group Point group count Bonds types Isodesmic reactions Bad point group Multiple conformers, states Vibrations Big anharmonicity Energy Enthalpy at 0 Kelvin Similar molecules Similar Isomers Cis/trans Tautomers Multiple conformers, states Ions, Dipoles, etc. List Ions Ionization changes point group Dipole Quadrupole Polarizability Proton Affinities Index of CCCBDB Feedback Error form Wants
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All results from a given calculation for C5H10 (2-Butene, 2-methyl-)

using model chemistry: MP2/aug-cc-pVDZ

States and conformations

All results from a given calculation for C₅H₁₀ (2-Butene, 2-methyl-)