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	hartrees
Energy at 0K	-196.507704
Energy at 298.15K	-196.517486
Nuclear repulsion energy	174.533449

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3139	3022	55.54
2	A	3130	3014	37.21
3	A	3117	3001	14.12
4	A	3114	2997	8.87
5	A	3026	2913	9.64
6	A	3024	2911	83.69
7	A	3016	2903	30.61
8	A	1757	1691	1.38
9	A	1511	1455	15.39
10	A	1509	1453	3.15
11	A	1493	1438	2.52
12	A	1431	1377	2.21
13	A	1425	1372	3.23
14	A	1420	1367	9.96
15	A	1376	1325	2.21
16	A	1243	1197	4.23
17	A	1139	1096	10.10
18	A	1073	1033	6.74
19	A	974	937	3.19
20	A	963	927	1.17
21	A	780	750	1.69
22	A	526	506	2.14
23	A	382	367	0.45
24	A	297	286	0.24
25	A	3069	2954	37.97
26	A	3068	2954	35.50
27	A	3063	2949	15.71
28	A	1504	1448	25.01
29	A	1497	1441	2.68
30	A	1483	1427	0.98
31	A	1104	1063	0.24
32	A	1062	1022	0.83
33	A	1019	981	2.98
34	A	827	796	15.01
35	A	452	435	3.93
36	A	263	253	2.21
37	A	180	173	1.35
38	A	136	131	0.04
39	A	118	113	0.65

Atom	x (Å)	y (Å)	z (Å)
C1	-1.502	0.492	0.000
H2	-1.966	-0.495	0.000
H3	-1.874	1.034	0.878
H4	-1.874	1.034	-0.878
C5	0.268	-2.090	0.000
H6	0.650	-2.626	-0.877
H7	0.650	-2.626	0.877
H8	-0.818	-2.192	0.000
C9	0.734	-0.668	0.000
H10	1.818	-0.548	0.000
C11	0.000	0.450	0.000
C12	0.657	1.802	0.000
H13	1.747	1.728	0.000
H14	0.359	2.389	0.878
H15	0.359	2.389	-0.878

	C1	H2	H3	H4	C5	H6	H7	H8	C9	H10	C11	C12	H13	H14	H15
C1		1.0904	1.0969	1.0969	3.1307	3.8886	3.8886	2.7696	2.5188	3.4790	1.5023	2.5258	3.4765	2.7985	2.7985
H2	1.0904		1.7654	1.7654	2.7460	3.4867	3.4867	2.0493	2.7058	3.7850	2.1813	3.4871	4.3283	3.8068	3.8068
H3	1.0969	1.7654		1.7550	3.8891	4.7803	4.4465	3.5065	3.2361	4.1119	2.1505	2.7873	3.7905	2.6119	3.1471
H4	1.0969	1.7654	1.7550		3.8891	4.4465	4.7803	3.5065	3.2361	4.1119	2.1505	2.7873	3.7905	3.1471	2.6119
C5	3.1307	2.7460	3.8891	3.8891		1.0966	1.0966	1.0912	1.4961	2.1867	2.5542	3.9120	4.0951	4.5651	4.5651
H6	3.8886	3.4867	4.7803	4.4465	1.0966		1.7548	1.7642	2.1472	2.5410	3.2641	4.5148	4.5760	5.3213	5.0234
H7	3.8886	3.4867	4.4465	4.7803	1.0966	1.7548		1.7642	2.1472	2.5410	3.2641	4.5148	4.5760	5.0234	5.3213
H8	2.7696	2.0493	3.5065	3.5065	1.0912	1.7642	1.7642		2.1748	3.1070	2.7655	4.2581	4.6852	4.8103	4.8103
C9	2.5188	2.7058	3.2361	3.2361	1.4961	2.1472	2.1472	2.1748		1.0910	1.3376	2.4720	2.6024	3.2027	3.2027
H10	3.4790	3.7850	4.1119	4.1119	2.1867	2.5410	2.5410	3.1070	1.0910		2.0740	2.6211	2.2773	3.3945	3.3945
C11	1.5023	2.1813	2.1505	2.1505	2.5542	3.2641	3.2641	2.7655	1.3376	2.0740		1.5039	2.1653	2.1585	2.1585
C12	2.5258	3.4871	2.7873	2.7873	3.9120	4.5148	4.5148	4.2581	2.4720	2.6211	1.5039		1.0925	1.0972	1.0972
H13	3.4765	4.3283	3.7905	3.7905	4.0951	4.5760	4.5760	4.6852	2.6024	2.2773	2.1653	1.0925		1.7704	1.7704
H14	2.7985	3.8068	2.6119	3.1471	4.5651	5.3213	5.0234	4.8103	3.2027	3.3945	2.1585	1.0972	1.7704		1.7562
H15	2.7985	3.8068	3.1471	2.6119	4.5651	5.0234	5.3213	4.8103	3.2027	3.3945	2.1585	1.0972	1.7704	1.7562

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C11	C9	124.885	C1	C11	C12	114.319
H2	C1	H3	107.628	H2	C1	H4	107.628
H2	C1	C11	113.612	H3	C1	H4	106.258
H3	C1	C11	110.690	H4	C1	C11	110.690
C5	C9	H10	114.479	C5	C9	C11	128.593
H6	C5	H7	106.286	H6	C5	H8	107.488
H6	C5	C9	110.882	H7	C5	H8	107.488
H7	C5	C9	110.882	H8	C5	C9	113.473
C9	C11	C12	120.796	H10	C9	C11	116.927
C11	C12	H13	112.047	C11	C12	H14	111.207
C11	C12	H15	111.207	H13	C12	H14	107.902
H13	C12	H15	107.902	H14	C12	H15	106.324

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

using model chemistry: B3PW91/6-311G*

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	-0.704
2	H	0.227
3	H	0.227
4	H	0.227
5	C	-0.686
6	H	0.227
7	H	0.227
8	H	0.224
9	C	-0.219
10	H	0.189
11	C	0.083
12	C	-0.690
13	H	0.224
14	H	0.223
15	H	0.223

	x	y	z	Total
	-0.174	0.048	0.000	0.181
CHELPG
AIM
ESP

<r²>	150.762
(<r²>)^1/2	12.279

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

using model chemistry: B3PW91/6-311G*

States and conformations

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