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	hartrees
Energy at 0K	-196.491018
Energy at 298.15K	-196.500736
Nuclear repulsion energy	173.462152

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3045	3036	62.19
2	A	3039	3029	22.21
3	A	3023	3014	3.12
4	A	3020	3010	18.26
5	A	2939	2931	7.13
6	A	2937	2929	92.76
7	A	2930	2921	26.91
8	A	1671	1666	1.19
9	A	1465	1461	10.02
10	A	1463	1458	1.17
11	A	1449	1445	1.38
12	A	1387	1383	0.66
13	A	1379	1375	1.20
14	A	1371	1367	4.72
15	A	1344	1340	3.76
16	A	1194	1191	5.29
17	A	1096	1093	12.08
18	A	1038	1035	4.10
19	A	940	938	1.27
20	A	929	927	3.37
21	A	745	743	1.32
22	A	514	513	1.70
23	A	375	374	0.39
24	A	291	290	0.23
25	A	2965	2956	35.34
26	A	2965	2956	29.13
27	A	2961	2952	17.72
28	A	1457	1452	14.22
29	A	1450	1445	2.29
30	A	1439	1434	0.73
31	A	1074	1071	0.00
32	A	1034	1031	1.02
33	A	992	989	2.19
34	A	808	806	11.07
35	A	443	442	2.58
36	A	256	255	1.67
37	A	182	182	0.97
38	A	146	145	0.07
39	A	121	121	0.54

Atom	x (Å)	y (Å)	z (Å)
C1	-1.514	0.495	0.000
H2	-1.975	-0.497	0.000
H3	-1.886	1.040	0.880
H4	-1.886	1.040	-0.880
C5	0.271	-2.106	0.000
H6	0.655	-2.643	-0.880
H7	0.655	-2.643	0.880
H8	-0.819	-2.206	0.000
C9	0.738	-0.672	0.000
H10	1.825	-0.552	0.000
C11	0.000	0.453	0.000
C12	0.663	1.816	0.000
H13	1.756	1.737	0.000
H14	0.363	2.404	0.881
H15	0.363	2.404	-0.881

	C1	H2	H3	H4	C5	H6	H7	H8	C9	H10	C11	C12	H13	H14	H15
C1		1.0936	1.1008	1.1008	3.1537	3.9144	3.9144	2.7884	2.5359	3.4985	1.5143	2.5466	3.4981	2.8180	2.8180
H2	1.0936		1.7734	1.7734	2.7630	3.5073	3.5073	2.0636	2.7191	3.8005	2.1919	3.5087	4.3492	3.8281	3.8281
H3	1.1008	1.7734		1.7610	3.9146	4.8086	4.4747	3.5286	3.2547	4.1328	2.1629	2.8068	3.8118	2.6300	3.1654
H4	1.1008	1.7734	1.7610		3.9146	4.4747	4.8086	3.5286	3.2547	4.1328	2.1629	2.8068	3.8118	3.1654	2.6300
C5	3.1537	2.7630	3.9146	3.9146		1.1005	1.1005	1.0946	1.5077	2.1974	2.5728	3.9409	4.1196	4.5953	4.5953
H6	3.9144	3.5073	4.8086	4.4747	1.1005		1.7604	1.7719	2.1598	2.5521	3.2843	4.5444	4.6007	5.3527	5.0547
H7	3.9144	3.5073	4.4747	4.8086	1.1005	1.7604		1.7719	2.1598	2.5521	3.2843	4.5444	4.6007	5.0547	5.3527
H8	2.7884	2.0636	3.5286	3.5286	1.0946	1.7719	1.7719		2.1857	3.1186	2.7822	4.2862	4.7095	4.8394	4.8394
C9	2.5359	2.7191	3.2547	3.2547	1.5077	2.1598	2.1598	2.1857		1.0933	1.3454	2.4889	2.6153	3.2212	3.2212
H10	3.4985	3.8005	4.1328	4.1328	2.1974	2.5521	2.5521	3.1186	1.0933		2.0829	2.6370	2.2897	3.4129	3.4129
C11	1.5143	2.1919	2.1629	2.1629	2.5728	3.2843	3.2843	2.7822	1.3454	2.0829		1.5157	2.1757	2.1709	2.1709
C12	2.5466	3.5087	2.8068	2.8068	3.9409	4.5444	4.5444	4.2862	2.4889	2.6370	1.5157		1.0958	1.1010	1.1010
H13	3.4981	4.3492	3.8118	3.8118	4.1196	4.6007	4.6007	4.7095	2.6153	2.2897	2.1757	1.0958		1.7786	1.7786
H14	2.8180	3.8281	2.6300	3.1654	4.5953	5.3527	5.0547	4.8394	3.2212	3.4129	2.1709	1.1010	1.7786		1.7620
H15	2.8180	3.8281	3.1654	2.6300	4.5953	5.0547	5.3527	4.8394	3.2212	3.4129	2.1709	1.1010	1.7786	1.7620

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C11	C9	124.842	C1	C11	C12	114.378
H2	C1	H3	107.838	H2	C1	H4	107.838
H2	C1	C11	113.397	H3	C1	H4	106.241
H3	C1	C11	110.610	H4	C1	C11	110.610
C5	C9	H10	114.362	C5	C9	C11	128.688
H6	C5	H7	106.225	H6	C5	H8	107.655
H6	C5	C9	110.837	H7	C5	H8	107.655
H7	C5	C9	110.837	H8	C5	C9	113.308
C9	C11	C12	120.780	H10	C9	C11	116.950
C11	C12	H13	111.827	C11	C12	H14	111.130
C11	C12	H15	111.130	H13	C12	H14	108.115
H13	C12	H15	108.115	H14	C12	H15	106.298

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

using model chemistry: BLYP/cc-pVTZ

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	-0.279
2	H	0.085
3	H	0.086
4	H	0.086
5	C	-0.274
6	H	0.092
7	H	0.092
8	H	0.085
9	C	-0.132
10	H	0.081
11	C	0.103
12	C	-0.272
13	H	0.082
14	H	0.082
15	H	0.082

	x	y	z	Total
	-0.193	0.032	0.000	0.196
CHELPG
AIM
ESP

<r²>	152.959
(<r²>)^1/2	12.368

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

using model chemistry: BLYP/cc-pVTZ

States and conformations

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