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	hartrees
Energy at 0K	-196.420004
Energy at 298.15K	-196.430004
Nuclear repulsion energy	173.996775

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3147	3123	25.26
2	A	3068	3044	12.29
3	A	3046	3022	29.87
4	A	3043	3019	34.37
5	A	3038	3014	44.05
6	A	2996	2973	27.99
7	A	2993	2970	19.04
8	A	2972	2949	28.80
9	A	2952	2929	30.67
10	A	2935	2912	31.52
11	A	1668	1655	12.25
12	A	1488	1476	1.80
13	A	1480	1469	3.19
14	A	1474	1463	7.84
15	A	1463	1452	6.28
16	A	1452	1441	1.66
17	A	1422	1411	0.04
18	A	1387	1376	1.72
19	A	1382	1371	1.13
20	A	1317	1307	4.29
21	A	1277	1267	1.89
22	A	1241	1232	2.92
23	A	1092	1084	0.75
24	A	1069	1061	4.99
25	A	1028	1020	1.38
26	A	988	980	0.05
27	A	980	972	1.27
28	A	914	907	1.49
29	A	884	877	34.23
30	A	783	777	1.60
31	A	752	746	1.12
32	A	705	699	0.05
33	A	521	517	4.43
34	A	422	419	1.83
35	A	389	386	0.49
36	A	255	253	0.13
37	A	223	222	0.29
38	A	185	183	0.27
39	A	72	72	0.06

Atom	x (Å)	y (Å)	z (Å)
C1	1.017	1.336	0.020
H2	0.387	1.909	-0.683
H3	2.062	1.437	-0.307
H4	0.915	1.831	1.003
C5	-1.935	0.086	-0.399
H6	-1.897	1.176	-0.553
H7	-2.935	-0.157	-0.004
H8	-1.831	-0.397	-1.383
C9	-0.830	-0.399	0.576
H10	-0.950	-1.482	0.745
H11	-0.986	0.092	1.556
C12	0.592	-0.121	0.098
C13	1.432	-1.121	-0.233
H14	1.129	-2.170	-0.169
H15	2.452	-0.928	-0.577

	C1	H2	H3	H4	C5	H6	H7	H8	C9	H10	H11	C12	C13	H14	H15
C1		1.1040	1.1001	1.1053	3.2326	2.9740	4.2240	3.6163	2.5936	3.5118	2.8136	1.5191	2.5044	3.5128	2.7453
H2	1.1040		1.7809	1.7679	2.9656	2.4023	3.9701	3.2747	2.8964	3.9146	3.1933	2.1840	3.2365	4.1776	3.5098
H3	1.1001	1.7809		1.7851	4.2205	3.9759	5.2538	4.4358	3.5373	4.3243	3.8170	2.1801	2.6357	3.7284	2.4114
H4	1.1053	1.7679	1.7851		3.6237	3.2797	4.4481	4.2654	2.8635	3.8106	2.6352	2.1756	3.2419	4.1750	3.5308
C5	3.2326	2.9656	4.2205	3.6237		1.1015	1.1018	1.1017	1.5512	2.1769	2.1727	2.5833	3.5805	3.8121	4.5057
H6	2.9740	2.4023	3.9759	3.2797	1.1015		1.7763	1.7799	2.2122	3.1063	2.5401	2.8809	4.0574	4.5280	4.8310
H7	4.2240	3.9701	5.2538	4.4481	1.1018	1.7763		1.7828	2.1966	2.5012	2.5085	3.5278	4.4772	4.5377	5.4709
H8	3.6163	3.2747	4.4358	4.2654	1.1017	1.7799	1.7828		2.1998	2.5466	3.0968	2.8525	3.5343	3.6576	4.3897
C9	2.5936	2.8964	3.5373	2.8635	1.5512	2.2122	2.1966	2.1998		1.1028	1.1073	1.5250	2.5076	2.7437	3.5175
H10	3.5118	3.9146	4.3243	3.8106	2.1769	3.1063	2.5012	2.5466	1.1028		1.7706	2.1560	2.5995	2.3730	3.6910
H11	2.8136	3.1933	3.8170	2.6352	2.1727	2.5401	2.5085	3.0968	1.1073	1.7706		2.1585	3.2424	3.5446	4.1715
C12	1.5191	2.1840	2.1801	2.1756	2.5833	2.8809	3.5278	2.8525	1.5250	2.1560	2.1585		1.3475	2.1355	2.1366
C13	2.5044	3.2365	2.6357	3.2419	3.5805	4.0574	4.4772	3.5343	2.5076	2.5995	3.2424	1.3475		1.0936	1.0936
H14	3.5128	4.1776	3.7284	4.1750	3.8121	4.5280	4.5377	3.6576	2.7437	2.3730	3.5446	2.1355	1.0936		1.8599
H15	2.7453	3.5098	2.4114	3.5308	4.5057	4.8310	5.4709	4.3897	3.5175	3.6910	4.1715	2.1366	1.0936	1.8599

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C12	C9	116.860	C1	C12	C13	121.653
H2	C1	H3	107.793	H2	C1	H4	106.295
H2	C1	C12	111.756	H3	C1	H4	108.074
H3	C1	C12	111.676	H4	C1	C12	111.005
C5	C9	H10	109.042	C5	C9	H11	108.467
C5	C9	C12	114.225	H6	C5	H7	107.455
H6	C5	H8	107.783	H6	C5	C9	111.894
H7	C5	H8	108.016	H7	C5	C9	110.636
H8	C5	C9	110.893	C9	C12	C13	121.486
H10	C9	H11	106.474	H10	C9	C12	109.204
H11	C9	C12	109.142	C12	C13	H14	121.698
C12	C13	H15	121.805	H14	C13	H15	116.496

All results from a given calculation for C₅H₁₀ (1-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	0.103
3	H	0.095
4	H	0.098
5	C	-0.283
6	H	0.094
7	H	0.090
8	H	0.098
9	C	-0.198
10	H	0.081
11	H	0.083
12	C	0.204
13	C	-0.260
14	H	0.068
15	H	0.068

	x	y	z	Total
	-0.344	0.382	0.101	0.524
CHELPG
AIM
ESP

	x	y	z
x	0.000	0.000	0.000
y	0.000	0.000	0.000
z	0.000	0.000	0.000

<r²>	146.057
(<r²>)^1/2	12.085

All results from a given calculation for C5H10 (1-Butene, 2-methyl-)

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

States and conformations

All results from a given calculation for C₅H₁₀ (1-Butene, 2-methyl-)