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	hartrees
Energy at 0K	-195.875734
Energy at 298.15K	-195.885493
HF Energy	-195.161120
Nuclear repulsion energy	174.558216

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3250	3043	32.72
2	A	3237	3031	23.71
3	A	3222	3017	24.78
4	A	3215	3010	6.33
5	A	3121	2923	19.11
6	A	3115	2917	38.31
7	A	3107	2910	25.19
8	A	1773	1660	0.46
9	A	1559	1460	9.10
10	A	1557	1458	0.99
11	A	1544	1446	1.11
12	A	1474	1381	0.95
13	A	1463	1370	0.50
14	A	1461	1369	4.86
15	A	1406	1317	2.78
16	A	1276	1195	3.54
17	A	1169	1095	5.57
18	A	1098	1028	5.53
19	A	1000	936	1.55
20	A	992	929	0.78
21	A	791	741	1.36
22	A	527	494	1.91
23	A	388	363	0.23
24	A	303	284	0.24
25	A	3192	2989	21.81
26	A	3186	2984	31.99
27	A	3183	2981	12.87
28	A	1548	1450	15.07
29	A	1540	1442	0.60
30	A	1528	1431	0.52
31	A	1134	1062	0.01
32	A	1084	1015	0.64
33	A	1043	977	1.83
34	A	832	779	11.27
35	A	435	408	1.96
36	A	264	247	1.19
37	A	181	170	0.97
38	A	121	113	0.49
39	A	94	88	0.13

Atom	x (Å)	y (Å)	z (Å)
C1	-1.503	0.499	0.000
H2	-1.963	-0.485	0.000
H3	-1.864	1.041	0.877
H4	-1.864	1.041	-0.877
C5	0.259	-2.094	0.000
H6	0.632	-2.626	-0.877
H7	0.632	-2.626	0.877
H8	-0.825	-2.173	0.000
C9	0.738	-0.674	0.000
H10	1.818	-0.555	0.000
C11	0.000	0.451	0.000
C12	0.664	1.801	0.000
H13	1.749	1.715	0.000
H14	0.367	2.381	0.877
H15	0.367	2.381	-0.877

	C1	H2	H3	H4	C5	H6	H7	H8	C9	H10	C11	C12	H13	H14	H15
C1		1.0864	1.0921	1.0921	3.1346	3.8846	3.8846	2.7565	2.5288	3.4836	1.5034	2.5280	3.4717	2.7941	2.7941
H2	1.0864		1.7626	1.7626	2.7435	3.4769	3.4769	2.0359	2.7077	3.7817	2.1751	3.4828	4.3152	3.7965	3.7965
H3	1.0921	1.7626		1.7534	3.8859	4.7695	4.4354	3.4894	3.2366	4.1070	2.1423	2.7813	3.7783	2.6022	3.1381
H4	1.0921	1.7626	1.7534		3.8859	4.4354	4.7695	3.4894	3.2366	4.1070	2.1423	2.7813	3.7783	3.1381	2.6022
C5	3.1346	2.7435	3.8859	3.8859		1.0914	1.0914	1.0869	1.4985	2.1903	2.5581	3.9161	4.0894	4.5610	4.5610
H6	3.8846	3.4769	4.7695	4.4354	1.0914		1.7537	1.7600	2.1424	2.5420	3.2612	4.5132	4.5665	5.3114	5.0134
H7	3.8846	3.4769	4.4354	4.7695	1.0914	1.7537		1.7600	2.1424	2.5420	3.2612	4.5132	4.5665	5.0134	5.3114
H8	2.7565	2.0359	3.4894	3.4894	1.0869	1.7600	1.7600		2.1655	3.0986	2.7507	4.2441	4.6624	4.7882	4.7882
C9	2.5288	2.7077	3.2366	3.2366	1.4985	2.1424	2.1424	2.1655		1.0865	1.3453	2.4763	2.5936	3.1995	3.1995
H10	3.4836	3.7817	4.1070	4.1070	2.1903	2.5420	2.5420	3.0986	1.0865		2.0776	2.6236	2.2704	3.3900	3.3900
C11	1.5034	2.1751	2.1423	2.1423	2.5581	3.2612	3.2612	2.7507	1.3453	2.0776		1.5046	2.1578	2.1512	2.1512
C12	2.5280	3.4828	2.7813	2.7813	3.9161	4.5132	4.5132	4.2441	2.4763	2.6236	1.5046		1.0889	1.0923	1.0923
H13	3.4717	4.3152	3.7783	3.7783	4.0894	4.5665	4.5665	4.6624	2.5936	2.2704	2.1578	1.0889		1.7674	1.7674
H14	2.7941	3.7965	2.6022	3.1381	4.5610	5.3114	5.0134	4.7882	3.1995	3.3900	2.1512	1.0923	1.7674		1.7542
H15	2.7941	3.7965	3.1381	2.6022	4.5610	5.0134	5.3114	4.7882	3.1995	3.3900	2.1512	1.0923	1.7674	1.7542

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C11	C9	125.077	C1	C11	C12	114.365
H2	C1	H3	108.019	H2	C1	H4	108.019
H2	C1	C11	113.266	H3	C1	H4	106.799
H3	C1	C11	110.248	H4	C1	C11	110.248
C5	C9	H10	114.911	C5	C9	C11	128.112
H6	C5	H7	106.918	H6	C5	H8	107.795
H6	C5	C9	110.644	H7	C5	H8	107.795
H7	C5	C9	110.644	H8	C5	C9	112.809
C9	C11	C12	120.558	H10	C9	C11	116.977
C11	C12	H13	111.602	C11	C12	H14	110.860
C11	C12	H15	110.860	H13	C12	H14	108.254
H13	C12	H15	108.254	H14	C12	H15	106.837

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

using model chemistry: MP2/6-31G**

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: MP2/6-31G**

States and conformations

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