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	hartrees
Energy at 0K	-195.959374
Energy at 298.15K	-195.969025
HF Energy	-195.179140
Nuclear repulsion energy	174.305087

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3201	3032	33.57
2	A	3186	3018	22.55
3	A	3171	3003	26.47
4	A	3163	2996	5.76
5	A	3075	2912	20.48
6	A	3069	2906	39.67
7	A	3061	2899	26.25
8	A	1749	1657	0.56
9	A	1538	1457	16.88
10	A	1536	1455	3.19
11	A	1521	1441	3.23
12	A	1458	1381	2.12
13	A	1449	1372	5.01
14	A	1447	1370	11.20
15	A	1395	1321	1.31
16	A	1261	1195	3.00
17	A	1158	1096	6.69
18	A	1087	1029	6.47
19	A	990	938	2.27
20	A	983	931	0.78
21	A	785	743	1.54
22	A	525	497	2.03
23	A	388	367	0.31
24	A	301	285	0.19
25	A	3139	2973	18.98
26	A	3133	2967	33.62
27	A	3130	2964	12.96
28	A	1531	1450	27.61
29	A	1523	1442	0.85
30	A	1508	1428	1.09
31	A	1115	1056	0.00
32	A	1069	1012	0.42
33	A	1023	969	2.42
34	A	808	765	16.82
35	A	427	405	3.67
36	A	261	247	1.88
37	A	172	163	1.26
38	A	104	99	0.47
39	A	77	73	0.09

Atom	x (Å)	y (Å)	z (Å)
C1	-1.504	0.499	0.000
H2	-1.969	-0.485	0.000
H3	-1.866	1.044	0.878
H4	-1.866	1.044	-0.878
C5	0.261	-2.096	0.000
H6	0.638	-2.629	-0.878
H7	0.638	-2.629	0.878
H8	-0.825	-2.182	0.000
C9	0.738	-0.674	0.000
H10	1.822	-0.554	0.000
C11	0.000	0.451	0.000
C12	0.663	1.803	0.000
H13	1.752	1.720	0.000
H14	0.364	2.384	0.879
H15	0.364	2.384	-0.879

	C1	H2	H3	H4	C5	H6	H7	H8	C9	H10	C11	C12	H13	H14	H15
C1		1.0892	1.0953	1.0953	3.1388	3.8921	3.8921	2.7658	2.5307	3.4889	1.5046	2.5287	3.4766	2.7954	2.7954
H2	1.0892		1.7670	1.7670	2.7509	3.4879	3.4879	2.0461	2.7140	3.7920	2.1804	3.4878	4.3250	3.8014	3.8014
H3	1.0953	1.7670		1.7568	3.8935	4.7805	4.4460	3.5019	3.2415	4.1146	2.1462	2.7826	3.7835	2.6016	3.1396
H4	1.0953	1.7670	1.7568		3.8935	4.4460	4.7805	3.5019	3.2415	4.1146	2.1462	2.7826	3.7835	3.1396	2.6016
C5	3.1388	2.7509	3.8935	3.8935		1.0945	1.0945	1.0895	1.5002	2.1947	2.5606	3.9202	4.0970	4.5673	4.5673
H6	3.8921	3.4879	4.7805	4.4460	1.0945		1.7568	1.7645	2.1458	2.5457	3.2660	4.5187	4.5745	5.3198	5.0211
H7	3.8921	3.4879	4.4460	4.7805	1.0945	1.7568		1.7645	2.1458	2.5457	3.2660	4.5187	4.5745	5.0211	5.3198
H8	2.7658	2.0461	3.5019	3.5019	1.0895	1.7645	1.7645		2.1722	3.1080	2.7592	4.2539	4.6758	4.7997	4.7997
C9	2.5307	2.7140	3.2415	3.2415	1.5002	2.1458	2.1458	2.1722		1.0906	1.3456	2.4784	2.5995	3.2042	3.2042
H10	3.4889	3.7920	4.1146	4.1146	2.1947	2.5457	2.5457	3.1080	1.0906		2.0810	2.6269	2.2749	3.3961	3.3961
C11	1.5046	2.1804	2.1462	2.1462	2.5606	3.2660	3.2660	2.7592	1.3456	2.0810		1.5060	2.1628	2.1548	2.1548
C12	2.5287	3.4878	2.7826	2.7826	3.9202	4.5187	4.5187	4.2539	2.4784	2.6269	1.5060		1.0918	1.0955	1.0955
H13	3.4766	4.3250	3.7835	3.7835	4.0970	4.5745	4.5745	4.6758	2.5995	2.2749	2.1628	1.0918		1.7721	1.7721
H14	2.7954	3.8014	2.6016	3.1396	4.5673	5.3198	5.0211	4.7997	3.2042	3.3961	2.1548	1.0955	1.7721		1.7584
H15	2.7954	3.8014	3.1396	2.6016	4.5673	5.0211	5.3198	4.7997	3.2042	3.3961	2.1548	1.0955	1.7721	1.7584

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C11	C9	125.120	C1	C11	C12	114.269
H2	C1	H3	107.973	H2	C1	H4	107.973
H2	C1	C11	113.443	H3	C1	H4	106.629
H3	C1	C11	110.278	H4	C1	C11	110.278
C5	C9	H10	114.880	C5	C9	C11	128.168
H6	C5	H7	106.747	H6	C5	H8	107.782
H6	C5	C9	110.603	H7	C5	H8	107.782
H7	C5	C9	110.603	H8	C5	C9	113.064
C9	C11	C12	120.612	H10	C9	C11	116.952
C11	C12	H13	111.736	C11	C12	H14	110.866
C11	C12	H15	110.866	H13	C12	H14	108.221
H13	C12	H15	108.221	H14	C12	H15	106.746

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

using model chemistry: MP2=FULL/6-311G*

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=FULL/6-311G*

States and conformations

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