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	hartrees
Energy at 0K	-194.530428
Energy at 298.15K	-194.540250
HF Energy	-194.064027
Nuclear repulsion energy	173.063944

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3183	3017	32.03
2	A	3167	3002	22.98
3	A	3149	2986	23.83
4	A	3143	2980	3.96
5	A	3077	2917	13.08
6	A	3073	2913	28.67
7	A	3065	2906	18.75
8	A	1730	1640	0.11
9	A	1603	1520	10.84
10	A	1596	1513	2.04
11	A	1590	1508	0.88
12	A	1502	1424	3.38
13	A	1490	1412	5.95
14	A	1476	1399	2.83
15	A	1438	1363	2.87
16	A	1251	1186	4.31
17	A	1160	1100	8.46
18	A	1101	1044	5.36
19	A	997	945	1.07
20	A	969	919	1.80
21	A	754	715	1.65
22	A	533	505	2.07
23	A	390	370	0.30
24	A	309	293	0.16
25	A	3128	2965	35.24
26	A	3127	2965	26.97
27	A	3124	2961	0.30
28	A	1596	1513	19.20
29	A	1590	1508	0.37
30	A	1578	1496	1.14
31	A	1168	1107	0.73
32	A	1125	1066	0.15
33	A	1078	1022	1.94
34	A	850	806	16.27
35	A	440	417	3.45
36	A	260	246	1.88
37	A	185	175	0.97
38	A	138	131	0.43
39	A	97	92	0.42

Atom	x (Å)	y (Å)	z (Å)
C1	-1.524	0.481	0.000
H2	-1.961	-0.521	0.000
H3	-1.888	1.017	0.886
H4	-1.888	1.017	-0.886
C5	0.286	-2.112	0.000
H6	0.665	-2.637	-0.886
H7	0.665	-2.637	0.886
H8	-0.804	-2.187	0.000
C9	0.756	-0.665	0.000
H10	1.840	-0.543	0.000
C11	0.000	0.450	0.000
C12	0.644	1.834	0.000
H13	1.737	1.757	0.000
H14	0.334	2.402	0.887
H15	0.334	2.402	-0.887

	C1	H2	H3	H4	C5	H6	H7	H8	C9	H10	C11	C12	H13	H14	H15
C1		1.0928	1.0976	1.0976	3.1623	3.9114	3.9114	2.7636	2.5520	3.5168	1.5248	2.5559	3.5017	2.8156	2.8156
H2	1.0928		1.7763	1.7763	2.7535	3.4869	3.4869	2.0286	2.7206	3.8013	2.1882	3.5117	4.3427	3.8201	3.8201
H3	1.0976	1.7763		1.7726	3.9114	4.7965	4.4572	3.4964	3.2561	4.1369	2.1611	2.8039	3.8037	2.6176	3.1616
H4	1.0976	1.7763	1.7726		3.9114	4.4572	4.7965	3.4964	3.2561	4.1369	2.1611	2.8039	3.8037	3.1616	2.6176
C5	3.1623	2.7535	3.9114	3.9114		1.0971	1.0971	1.0931	1.5205	2.2082	2.5775	3.9621	4.1311	4.5999	4.5999
H6	3.9114	3.4869	4.7965	4.4572	1.0971		1.7712	1.7733	2.1634	2.5598	3.2796	4.5583	4.6083	5.3517	5.0497
H7	3.9114	3.4869	4.4572	4.7965	1.0971	1.7712		1.7733	2.1634	2.5598	3.2796	4.5583	4.6083	5.0497	5.3517
H8	2.7636	2.0286	3.4964	3.4964	1.0931	1.7733	1.7733		2.1792	3.1140	2.7570	4.2742	4.6913	4.8102	4.8102
C9	2.5520	2.7206	3.2561	3.2561	1.5205	2.1634	2.1634	2.1792		1.0914	1.3472	2.5022	2.6130	3.2205	3.2205
H10	3.5168	3.8013	4.1369	4.1369	2.2082	2.5598	2.5598	3.1140	1.0914		2.0908	2.6611	2.3014	3.4242	3.4242
C11	1.5248	2.1882	2.1611	2.1611	2.5775	3.2796	3.2796	2.7570	1.3472	2.0908		1.5267	2.1732	2.1695	2.1695
C12	2.5559	3.5117	2.8039	2.8039	3.9621	4.5583	4.5583	4.2742	2.5022	2.6611	1.5267		1.0957	1.0975	1.0975
H13	3.5017	4.3427	3.8037	3.8037	4.1311	4.6083	4.6083	4.6913	2.6130	2.3014	2.1732	1.0957		1.7808	1.7808
H14	2.8156	3.8201	2.6176	3.1616	4.5999	5.3517	5.0497	4.8102	3.2205	3.4242	2.1695	1.0975	1.7808		1.7735
H15	2.8156	3.8201	3.1616	2.6176	4.5999	5.0497	5.3517	4.8102	3.2205	3.4242	2.1695	1.0975	1.7808	1.7735

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C11	C9	125.280	C1	C11	C12	113.775
H2	C1	H3	108.381	H2	C1	H4	108.381
H2	C1	C11	112.391	H3	C1	H4	107.704
H3	C1	C11	109.926	H4	C1	C11	109.926
C5	C9	H10	114.433	C5	C9	C11	127.906
H6	C5	H7	107.650	H6	C5	H8	108.124
H6	C5	C9	110.432	H7	C5	H8	108.124
H7	C5	C9	110.432	H8	C5	C9	111.939
C9	C11	C12	120.945	H10	C9	C11	117.661
C11	C12	H13	110.863	C11	C12	H14	110.462
C11	C12	H15	110.462	H13	C12	H14	108.583
H13	C12	H15	108.583	H14	C12	H15	107.801

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

using model chemistry: MP2=FULL/3-21G*

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/3-21G*

States and conformations

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