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	hartrees
Energy at 0K	-34.244070
Energy at 298.15K	-34.253747
Nuclear repulsion energy	96.787491

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3142	3034	67.92
2	A	3130	3023	35.10
3	A	3118	3011	6.77
4	A	3111	3004	25.53
5	A	3030	2926	14.69
6	A	3027	2923	86.20
7	A	3019	2915	43.99
8	A	1746	1687	2.76
9	A	1499	1447	13.00
10	A	1497	1445	2.00
11	A	1482	1431	1.80
12	A	1422	1373	1.27
13	A	1417	1369	2.72
14	A	1413	1364	4.28
15	A	1358	1311	4.95
16	A	1227	1185	5.82
17	A	1120	1082	10.00
18	A	1060	1023	8.77
19	A	957	924	4.00
20	A	949	917	0.96
21	A	765	738	1.75
22	A	507	489	2.58
23	A	366	354	0.35
24	A	292	282	0.14
25	A	3073	2967	94.37
26	A	3072	2966	7.14
27	A	3066	2961	29.12
28	A	1492	1440	24.72
29	A	1486	1435	1.06
30	A	1475	1424	1.04
31	A	1084	1046	0.81
32	A	1054	1018	3.76
33	A	1011	977	4.91
34	A	837	808	21.82
35	A	421	406	3.66
36	A	258	249	2.59
37	A	184	178	1.77
38	A	144	139	0.18
39	A	121	117	0.80

Atom	x (Å)	y (Å)	z (Å)
C1	-1.529	0.471	0.000
H2	-1.973	-0.536	0.000
H3	-1.909	1.013	0.887
H4	-1.909	1.013	-0.887
C5	0.323	-2.121	0.000
H6	0.715	-2.653	-0.888
H7	0.715	-2.653	0.888
H8	-0.773	-2.227	0.000
C9	0.779	-0.667	0.000
H10	1.867	-0.523	0.000
C11	0.000	0.457	0.000
C12	0.643	1.843	0.000
H13	1.744	1.784	0.000
H14	0.329	2.426	0.887
H15	0.329	2.426	-0.887

	C1	H2	H3	H4	C5	H6	H7	H8	C9	H10	C11	C12	H13	H14	H15
C1		1.1003	1.1069	1.1069	3.1851	3.9476	3.9476	2.8022	2.5733	3.5386	1.5289	2.5690	3.5261	2.8396	2.8396
H2	1.1003		1.7859	1.7859	2.7903	3.5357	3.5357	2.0746	2.7556	3.8408	2.2089	3.5361	4.3814	3.8551	3.8551
H3	1.1069	1.7859		1.7745	3.9480	4.8451	4.5083	3.5465	3.2915	4.1717	2.1770	2.8260	3.8366	2.6466	3.1865
H4	1.1069	1.7859	1.7745		3.9480	4.5083	4.8451	3.5465	3.2915	4.1717	2.1770	2.8260	3.8366	3.1865	2.6466
C5	3.1851	2.7903	3.9480	3.9480		1.1069	1.1069	1.1007	1.5232	2.2224	2.5975	3.9768	4.1550	4.6328	4.6328
H6	3.9476	3.5357	4.8451	4.5083	1.1069		1.7752	1.7840	2.1761	2.5797	3.3122	4.5838	4.6404	5.3946	5.0942
H7	3.9476	3.5357	4.5083	4.8451	1.1069	1.7752		1.7840	2.1761	2.5797	3.3122	4.5838	4.6404	5.0942	5.3946
H8	2.8022	2.0746	3.5465	3.5465	1.1007	1.7840	1.7840		2.2003	3.1426	2.7931	4.3097	4.7351	4.8640	4.8640
C9	2.5733	2.7556	3.2915	3.2915	1.5232	2.1761	2.1761	2.2003		1.0979	1.3676	2.5143	2.6342	3.2498	3.2498
H10	3.5386	3.8408	4.1717	4.1717	2.2224	2.5797	2.5797	3.1426	1.0979		2.1086	2.6640	2.3098	3.4425	3.4425
C11	1.5289	2.2089	2.1770	2.1770	2.5975	3.3122	3.3122	2.7931	1.3676	2.1086		1.5283	2.1913	2.1852	2.1852
C12	2.5690	3.5361	2.8260	2.8260	3.9768	4.5838	4.5838	4.3097	2.5143	2.6640	1.5283		1.1024	1.1072	1.1072
H13	3.5261	4.3814	3.8366	3.8366	4.1550	4.6404	4.6404	4.7351	2.6342	2.3098	2.1913	1.1024		1.7892	1.7892
H14	2.8396	3.8551	2.6466	3.1865	4.6328	5.3946	5.0942	4.8640	3.2498	3.4425	2.1852	1.1072	1.7892		1.7748
H15	2.8396	3.8551	3.1865	2.6466	4.6328	5.0942	5.3946	4.8640	3.2498	3.4425	2.1852	1.1072	1.7892	1.7748

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C11	C9	125.254	C1	C11	C12	114.344
H2	C1	H3	108.023	H2	C1	H4	108.023
H2	C1	C11	113.304	H3	C1	H4	106.557
H3	C1	C11	110.335	H4	C1	C11	110.335
C5	C9	H10	114.998	C5	C9	C11	127.852
H6	C5	H7	106.615	H6	C5	H8	107.821
H6	C5	C9	110.666	H7	C5	H8	107.821
H7	C5	C9	110.666	H8	C5	C9	112.988
C9	C11	C12	120.402	H10	C9	C11	117.150
C11	C12	H13	111.785	C11	C12	H14	111.011
C11	C12	H15	111.011	H13	C12	H14	108.142
H13	C12	H15	108.142	H14	C12	H15	106.542

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

using model chemistry: B3LYP/CEP-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	-0.276
2	H	0.166
3	H	0.131
4	H	0.131
5	C	-0.494
6	H	0.142
7	H	0.142
8	H	0.169
9	C	-0.454
10	H	0.301
11	C	0.204
12	C	-0.633
13	H	0.191
14	H	0.139
15	H	0.139

	x	y	z	Total
	-0.190	0.087	0.000	0.209
CHELPG
AIM
ESP

	x	y	z
x	10.960	-0.873	0.000
y	-0.873	8.129	0.001
z	0.000	0.001	5.727

<r²>	130.034
(<r²>)^1/2	11.403

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

using model chemistry: B3LYP/CEP-31G*

States and conformations

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