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	hartrees
Energy at 0K	-195.818908
Energy at 298.15K	-195.828693
HF Energy	-195.144665
Nuclear repulsion energy	174.398399

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3224	3037	30.25
2	A	3210	3024	21.26
3	A	3194	3009	23.88
4	A	3185	3001	6.81
5	A	3099	2920	17.06
6	A	3093	2914	35.43
7	A	3085	2907	22.22
8	A	1774	1671	0.40
9	A	1564	1474	10.98
10	A	1563	1472	2.68
11	A	1549	1460	1.67
12	A	1483	1398	1.70
13	A	1471	1386	2.60
14	A	1469	1384	6.34
15	A	1417	1335	1.97
16	A	1279	1205	3.19
17	A	1173	1105	6.16
18	A	1103	1039	7.06
19	A	1004	946	1.74
20	A	996	939	0.90
21	A	792	746	1.60
22	A	530	499	2.14
23	A	392	369	0.31
24	A	307	290	0.20
25	A	3164	2981	19.79
26	A	3159	2976	30.41
27	A	3156	2974	10.83
28	A	1555	1465	19.46
29	A	1547	1458	0.63
30	A	1535	1446	0.81
31	A	1140	1074	0.09
32	A	1092	1029	0.51
33	A	1048	987	1.95
34	A	834	786	13.21
35	A	441	415	2.29
36	A	266	251	1.38
37	A	182	172	1.02
38	A	127	119	0.41
39	A	97	92	0.26

Atom	x (Å)	y (Å)	z (Å)
C1	-1.502	0.503	0.000
H2	-1.968	-0.482	0.000
H3	-1.864	1.048	0.880
H4	-1.864	1.048	-0.880
C5	0.258	-2.095	0.000
H6	0.634	-2.629	-0.880
H7	0.634	-2.629	0.880
H8	-0.829	-2.178	0.000
C9	0.735	-0.675	0.000
H10	1.820	-0.559	0.000
C11	0.000	0.451	0.000
C12	0.666	1.800	0.000
H13	1.755	1.711	0.000
H14	0.370	2.382	0.880
H15	0.370	2.382	-0.880

	C1	H2	H3	H4	C5	H6	H7	H8	C9	H10	C11	C12	H13	H14	H15
C1		1.0903	1.0961	1.0961	3.1387	3.8922	3.8922	2.7641	2.5287	3.4874	1.5030	2.5259	3.4740	2.7943	2.7943
H2	1.0903		1.7685	1.7685	2.7490	3.4860	3.4860	2.0421	2.7101	3.7884	2.1780	3.4849	4.3213	3.8008	3.8008
H3	1.0961	1.7685		1.7591	3.8933	4.7809	4.4455	3.5000	3.2401	4.1139	2.1458	2.7816	3.7829	2.6015	3.1407
H4	1.0961	1.7685	1.7591		3.8933	4.4455	4.7809	3.5000	3.2401	4.1139	2.1458	2.7816	3.7829	3.1407	2.6015
C5	3.1387	2.7490	3.8933	3.8933		1.0955	1.0955	1.0907	1.4983	2.1907	2.5590	3.9161	4.0900	4.5646	4.5646
H6	3.8922	3.4860	4.7809	4.4455	1.0955		1.7592	1.7660	2.1456	2.5430	3.2652	4.5155	4.5682	5.3181	5.0186
H7	3.8922	3.4860	4.4455	4.7809	1.0955	1.7592		1.7660	2.1456	2.5430	3.2652	4.5155	4.5682	5.0186	5.3181
H8	2.7641	2.0421	3.5000	3.5000	1.0907	1.7660	1.7660		2.1695	3.1046	2.7561	4.2490	4.6692	4.7964	4.7964
C9	2.5287	2.7101	3.2401	3.2401	1.4983	2.1456	2.1456	2.1695		1.0906	1.3445	2.4754	2.5947	3.2023	3.2023
H10	3.4874	3.7884	4.1139	4.1139	2.1907	2.5430	2.5430	3.1046	1.0906		2.0809	2.6254	2.2706	3.3952	3.3952
C11	1.5030	2.1780	2.1458	2.1458	2.5590	3.2652	3.2652	2.7561	1.3445	2.0809		1.5043	2.1608	2.1546	2.1546
C12	2.5259	3.4849	2.7816	2.7816	3.9161	4.5155	4.5155	4.2490	2.4754	2.6254	1.5043		1.0930	1.0963	1.0963
H13	3.4740	4.3213	3.7829	3.7829	4.0900	4.5682	4.5682	4.6692	2.5947	2.2706	2.1608	1.0930		1.7735	1.7735
H14	2.7943	3.8008	2.6015	3.1407	4.5646	5.3181	5.0186	4.7964	3.2023	3.3952	2.1546	1.0963	1.7735		1.7602
H15	2.7943	3.8008	3.1407	2.6015	4.5646	5.0186	5.3181	4.7964	3.2023	3.3952	2.1546	1.0963	1.7735	1.7602

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C11	C9	125.161	C1	C11	C12	114.266
H2	C1	H3	107.967	H2	C1	H4	107.967
H2	C1	C11	113.287	H3	C1	H4	106.732
H3	C1	C11	110.317	H4	C1	C11	110.317
C5	C9	H10	114.681	C5	C9	C11	128.279
H6	C5	H7	106.830	H6	C5	H8	107.764
H6	C5	C9	110.667	H7	C5	H8	107.764
H7	C5	C9	110.667	H8	C5	C9	112.901
C9	C11	C12	120.574	H10	C9	C11	117.040
C11	C12	H13	111.621	C11	C12	H14	110.917
C11	C12	H15	110.917	H13	C12	H14	108.208
H13	C12	H15	108.208	H14	C12	H15	106.789

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

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

States and conformations

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