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	hartrees
Energy at 0K	-196.424179
Energy at 298.15K	-196.433894
Nuclear repulsion energy	172.817159

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3062	3038	55.37
2	A	3054	3031	35.21
3	A	3041	3017	10.89
4	A	3037	3014	11.06
5	A	2949	2927	9.01
6	A	2947	2924	88.54
7	A	2939	2916	28.83
8	A	1689	1676	0.81
9	A	1476	1465	6.87
10	A	1474	1463	0.78
11	A	1460	1448	0.88
12	A	1399	1388	0.24
13	A	1389	1378	0.10
14	A	1383	1372	2.97
15	A	1345	1335	5.46
16	A	1200	1191	5.72
17	A	1103	1094	10.68
18	A	1043	1035	5.67
19	A	945	938	1.51
20	A	936	928	2.06
21	A	749	743	1.62
22	A	513	509	2.11
23	A	374	371	0.39
24	A	292	289	0.24
25	A	2985	2962	74.56
26	A	2984	2961	2.98
27	A	2979	2956	16.27
28	A	1467	1456	12.25
29	A	1461	1449	1.38
30	A	1450	1438	0.50
31	A	1078	1069	0.44
32	A	1033	1025	0.41
33	A	996	988	1.62
34	A	808	801	9.09
35	A	439	436	1.69
36	A	257	255	1.16
37	A	185	183	1.12
38	A	155	154	0.07
39	A	128	127	0.70

Atom	x (Å)	y (Å)	z (Å)
C1	-1.518	0.500	0.000
H2	-1.984	-0.494	0.000
H3	-1.893	1.048	0.884
H4	-1.893	1.048	-0.884
C5	0.267	-2.113	0.000
H6	0.651	-2.654	-0.884
H7	0.651	-2.654	0.884
H8	-0.828	-2.210	0.000
C9	0.740	-0.677	0.000
H10	1.831	-0.559	0.000
C11	0.000	0.455	0.000
C12	0.670	1.819	0.000
H13	1.768	1.739	0.000
H14	0.371	2.413	0.884
H15	0.371	2.413	-0.884

	C1	H2	H3	H4	C5	H6	H7	H8	C9	H10	C11	C12	H13	H14	H15
C1		1.0985	1.1055	1.1055	3.1647	3.9290	3.9290	2.7972	2.5460	3.5126	1.5185	2.5549	3.5114	2.8299	2.8299
H2	1.0985		1.7800	1.7800	2.7726	3.5198	3.5198	2.0691	2.7296	3.8157	2.1996	3.5211	4.3662	3.8446	3.8446
H3	1.1055	1.7800		1.7675	3.9295	4.8276	4.4924	3.5404	3.2694	4.1515	2.1718	2.8191	3.8291	2.6441	3.1806
H4	1.1055	1.7800	1.7675		3.9295	4.4924	4.8276	3.5404	3.2694	4.1515	2.1718	2.8191	3.8291	3.1806	2.6441
C5	3.1647	2.7726	3.9295	3.9295		1.1053	1.1053	1.0994	1.5115	2.2049	2.5822	3.9529	4.1337	4.6124	4.6124
H6	3.9290	3.5198	4.8276	4.4924	1.1053		1.7678	1.7789	2.1678	2.5627	3.2980	4.5605	4.6185	5.3741	5.0750
H7	3.9290	3.5198	4.4924	4.8276	1.1053	1.7678		1.7789	2.1678	2.5627	3.2980	4.5605	4.6185	5.0750	5.3741
H8	2.7972	2.0691	3.5404	3.5404	1.0994	1.7789	1.7789		2.1926	3.1303	2.7915	4.2993	4.7259	4.8573	4.8573
C9	2.5460	2.7296	3.2694	3.2694	1.5115	2.1678	2.1678	2.1926		1.0982	1.3526	2.4975	2.6257	3.2349	3.2349
H10	3.5126	3.8157	4.1515	4.1515	2.2049	2.5627	2.5627	3.1303	1.0982		2.0934	2.6465	2.2984	3.4267	3.4267
C11	1.5185	2.1996	2.1718	2.1718	2.5822	3.2980	3.2980	2.7915	1.3526	2.0934		1.5197	2.1846	2.1796	2.1796
C12	2.5549	3.5211	2.8191	2.8191	3.9529	4.5605	4.5605	4.2993	2.4975	2.6465	1.5197		1.1006	1.1058	1.1058
H13	3.5114	4.3662	3.8291	3.8291	4.1337	4.6185	4.6185	4.7259	2.6257	2.2984	2.1846	1.1006		1.7849	1.7849
H14	2.8299	3.8446	2.6441	3.1806	4.6124	5.3741	5.0750	4.8573	3.2349	3.4267	2.1796	1.1058	1.7849		1.7681
H15	2.8299	3.8446	3.1806	2.6441	4.6124	5.0750	5.3741	4.8573	3.2349	3.4267	2.1796	1.1058	1.7849	1.7681

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C11	C9	124.834	C1	C11	C12	114.475
H2	C1	H3	107.735	H2	C1	H4	107.735
H2	C1	C11	113.415	H3	C1	H4	106.152
H3	C1	C11	110.739	H4	C1	C11	110.739
C5	C9	H10	114.396	C5	C9	C11	128.652
H6	C5	H7	106.204	H6	C5	H8	107.584
H6	C5	C9	110.921	H7	C5	H8	107.584
H7	C5	C9	110.921	H8	C5	C9	113.295
C9	C11	C12	120.690	H10	C9	C11	116.952
C11	C12	H13	111.968	C11	C12	H14	111.249
C11	C12	H15	111.249	H13	C12	H14	107.983
H13	C12	H15	107.983	H14	C12	H15	106.155

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

using model chemistry: BLYP/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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Number	Element	Mulliken
1	C	-0.341
2	H	0.094
3	H	0.098
4	H	0.098
5	C	-0.319
6	H	0.100
7	H	0.100
8	H	0.094
9	C	-0.086
10	H	0.046
11	C	0.168
12	C	-0.334
13	H	0.092
14	H	0.095
15	H	0.095

	x	y	z	Total
	-0.192	0.043	0.000	0.196
CHELPG
AIM
ESP

<r²>	153.336
(<r²>)^1/2	12.383

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

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

States and conformations

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