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	hartrees
Energy at 0K	-195.910359
Energy at 298.15K	-195.920031
HF Energy	-195.164412
Nuclear repulsion energy	174.566519

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3244	3047	35.79
2	A	3230	3034	21.45
3	A	3214	3019	28.97
4	A	3208	3013	5.19
5	A	3113	2924	24.93
6	A	3107	2918	44.38
7	A	3098	2910	31.72
8	A	1758	1651	0.96
9	A	1547	1453	10.92
10	A	1545	1451	5.22
11	A	1531	1438	2.22
12	A	1466	1376	1.33
13	A	1456	1367	1.64
14	A	1453	1365	7.89
15	A	1401	1316	2.08
16	A	1271	1194	3.43
17	A	1164	1094	6.43
18	A	1094	1028	4.16
19	A	996	936	1.96
20	A	988	928	1.12
21	A	788	740	1.31
22	A	526	494	1.62
23	A	388	364	0.16
24	A	302	284	0.18
25	A	3185	2991	16.50
26	A	3178	2985	23.65
27	A	3175	2982	17.39
28	A	1531	1438	21.14
29	A	1523	1431	0.20
30	A	1512	1420	0.99
31	A	1122	1054	1.56
32	A	1072	1007	1.19
33	A	1031	969	3.09
34	A	820	770	16.67
35	A	415	390	3.31
36	A	262	246	1.92
37	A	175	164	1.60
38	A	107	100	0.65
39	A	81	76	0.24

Atom	x (Å)	y (Å)	z (Å)
C1	-1.502	0.498	0.000
H2	-1.961	-0.486	0.000
H3	-1.862	1.040	0.877
H4	-1.862	1.040	-0.877
C5	0.261	-2.094	0.000
H6	0.635	-2.625	-0.877
H7	0.635	-2.625	0.877
H8	-0.822	-2.173	0.000
C9	0.739	-0.674	0.000
H10	1.819	-0.553	0.000
C11	0.000	0.452	0.000
C12	0.660	1.803	0.000
H13	1.746	1.719	0.000
H14	0.360	2.380	0.877
H15	0.360	2.380	-0.877

	C1	H2	H3	H4	C5	H6	H7	H8	C9	H10	C11	C12	H13	H14	H15
C1		1.0859	1.0916	1.0916	3.1350	3.8840	3.8840	2.7559	2.5295	3.4835	1.5030	2.5262	3.4697	2.7896	2.7896
H2	1.0859		1.7628	1.7628	2.7432	3.4759	3.4759	2.0353	2.7074	3.7809	2.1742	3.4808	4.3132	3.7916	3.7916
H3	1.0916	1.7628		1.7534	3.8855	4.7683	4.4341	3.4887	3.2360	4.1052	2.1402	2.7771	3.7739	2.5950	3.1322
H4	1.0916	1.7628	1.7534		3.8855	4.4341	4.7683	3.4887	3.2360	4.1052	2.1402	2.7771	3.7739	3.1322	2.5950
C5	3.1350	2.7432	3.8855	3.8855		1.0908	1.0908	1.0863	1.4986	2.1914	2.5594	3.9180	4.0918	4.5605	4.5605
H6	3.8840	3.4759	4.7683	4.4341	1.0908		1.7536	1.7596	2.1412	2.5422	3.2614	4.5141	4.5682	5.3103	5.0122
H7	3.8840	3.4759	4.4341	4.7683	1.0908	1.7536		1.7596	2.1412	2.5422	3.2614	4.5141	4.5682	5.0122	5.3103
H8	2.7559	2.0353	3.4887	3.4887	1.0863	1.7596	1.7596		2.1647	3.0985	2.7506	4.2438	4.6626	4.7852	4.7852
C9	2.5295	2.7074	3.2360	3.2360	1.4986	2.1412	2.1412	2.1647		1.0862	1.3470	2.4787	2.5957	3.2001	3.2001
H10	3.4835	3.7809	4.1052	4.1052	2.1914	2.5422	2.5422	3.0985	1.0862		2.0780	2.6258	2.2730	3.3911	3.3911
C11	1.5030	2.1742	2.1402	2.1402	2.5594	3.2614	3.2614	2.7506	1.3470	2.0780		1.5042	2.1569	2.1488	2.1488
C12	2.5262	3.4808	2.7771	2.7771	3.9180	4.5141	4.5141	4.2438	2.4787	2.6258	1.5042		1.0885	1.0918	1.0918
H13	3.4697	4.3132	3.7739	3.7739	4.0918	4.5682	4.5682	4.6626	2.5957	2.2730	2.1569	1.0885		1.7678	1.7678
H14	2.7896	3.7916	2.5950	3.1322	4.5605	5.3103	5.0122	4.7852	3.2001	3.3911	2.1488	1.0918	1.7678		1.7545
H15	2.7896	3.7916	3.1322	2.5950	4.5605	5.0122	5.3103	4.7852	3.2001	3.3911	2.1488	1.0918	1.7678	1.7545

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C11	C9	125.047	C1	C11	C12	114.288
H2	C1	H3	108.105	H2	C1	H4	108.105
H2	C1	C11	113.262	H3	C1	H4	106.856
H3	C1	C11	110.140	H4	C1	C11	110.140
C5	C9	H10	115.010	C5	C9	C11	128.090
H6	C5	H7	106.990	H6	C5	H8	107.846
H6	C5	C9	110.581	H7	C5	H8	107.846
H7	C5	C9	110.581	H8	C5	C9	112.772
C9	C11	C12	120.665	H10	C9	C11	116.899
C11	C12	H13	111.581	C11	C12	H14	110.730
C11	C12	H15	110.730	H13	C12	H14	108.355
H13	C12	H15	108.355	H14	C12	H15	106.931

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

using model chemistry: MP2=FULL/6-31+G**

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/6-31+G**

States and conformations

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