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	hartrees
Energy at 0K	-34.264841
Energy at 298.15K	-34.274888
Nuclear repulsion energy	98.228079

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3192	3094	32.16
2	A	3111	3015	21.44
3	A	3095	3000	33.86
4	A	3090	2995	54.07
5	A	3083	2988	61.62
6	A	3052	2958	32.12
7	A	3048	2955	21.50
8	A	3016	2924	37.78
9	A	3003	2911	38.54
10	A	2993	2901	37.81
11	A	1686	1634	18.81
12	A	1520	1474	3.14
13	A	1512	1466	6.19
14	A	1506	1460	11.45
15	A	1498	1452	10.04
16	A	1486	1441	2.97
17	A	1449	1405	0.31
18	A	1418	1374	3.19
19	A	1413	1370	2.77
20	A	1347	1306	3.61
21	A	1302	1262	1.55
22	A	1264	1226	2.39
23	A	1109	1075	0.74
24	A	1087	1054	4.49
25	A	1046	1014	0.54
26	A	1007	976	0.40
27	A	994	964	0.65
28	A	929	901	1.49
29	A	914	887	55.07
30	A	792	768	1.33
31	A	762	738	0.82
32	A	718	696	0.12
33	A	525	509	7.00
34	A	425	412	1.92
35	A	389	377	0.77
36	A	257	250	0.19
37	A	219	212	0.54
38	A	179	173	0.25
39	A	68	66	0.06

Atom	x (Å)	y (Å)	z (Å)
C1	1.036	1.316	0.032
H2	0.427	1.884	-0.686
H3	2.086	1.414	-0.266
H4	0.910	1.808	1.009
C5	-1.913	0.094	-0.394
H6	-1.877	1.184	-0.509
H7	-2.910	-0.166	-0.017
H8	-1.799	-0.354	-1.390
C9	-0.815	-0.423	0.572
H10	-0.942	-1.505	0.713
H11	-0.968	0.043	1.559
C12	0.608	-0.142	0.101
C13	1.449	-1.139	-0.230
H14	1.147	-2.185	-0.174
H15	2.468	-0.944	-0.566

	C1	H2	H3	H4	C5	H6	H7	H8	C9	H10	H11	C12	C13	H14	H15
C1		1.0992	1.0959	1.1007	3.2200	2.9659	4.2156	3.5846	2.5970	3.5120	2.8220	1.5216	2.5043	3.5096	2.7419
H2	1.0992		1.7744	1.7641	2.9601	2.4145	3.9731	3.2339	2.9067	3.9134	3.2202	2.1810	3.2241	4.1640	3.4894
H3	1.0959	1.7744		1.7789	4.2123	3.9771	5.2457	4.4135	3.5347	4.3178	3.8120	2.1770	2.6316	3.7208	2.4071
H4	1.1007	1.7641	1.7789		3.5880	3.2346	4.4208	4.2153	2.8541	3.8067	2.6344	2.1722	3.2423	4.1714	3.5328
C5	3.2200	2.9601	4.2123	3.5880		1.0973	1.0980	1.0977	1.5508	2.1737	2.1705	2.5794	3.5847	3.8210	4.5047
H6	2.9659	2.4145	3.9771	3.2346	1.0973		1.7698	1.7745	2.2095	3.0988	2.5310	2.8825	4.0678	4.5401	4.8387
H7	4.2156	3.9731	5.2457	4.4208	1.0980	1.7698		1.7766	2.1916	2.4906	2.5105	3.5204	4.4724	4.5346	5.4619
H8	3.5846	3.2339	4.4135	4.2153	1.0977	1.7745	1.7766		2.1963	2.5466	3.0899	2.8395	3.5381	3.6759	4.3857
C9	2.5970	2.9067	3.5347	2.8541	1.5508	2.2095	2.1916	2.1963		1.0981	1.1023	1.5253	2.5070	2.7404	3.5136
H10	3.5120	3.9134	4.3178	3.8067	2.1737	3.0988	2.4906	2.5466	1.0981		1.7647	2.1525	2.5961	2.3686	3.6846
H11	2.8220	3.2202	3.8120	2.6344	2.1705	2.5310	2.5105	3.0899	1.1023	1.7647		2.1546	3.2312	3.5270	4.1584
C12	1.5216	2.1810	2.1770	2.1722	2.5794	2.8825	3.5204	2.8395	1.5253	2.1525	2.1546		1.3462	2.1308	2.1323
C13	2.5043	3.2241	2.6316	3.2423	3.5847	4.0678	4.4724	3.5381	2.5070	2.5961	3.2312	1.3462		1.0903	1.0902
H14	3.5096	4.1640	3.7208	4.1714	3.8210	4.5401	4.5346	3.6759	2.7404	2.3686	3.5270	2.1308	1.0903		1.8550
H15	2.7419	3.4894	2.4071	3.5328	4.5047	4.8387	5.4619	4.3857	3.5136	3.6846	4.1584	2.1323	1.0902	1.8550

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C12	C9	116.935	C1	C12	C13	121.559
H2	C1	H3	107.865	H2	C1	H4	106.618
H2	C1	C12	111.630	H3	C1	H4	108.160
H3	C1	C12	111.516	H4	C1	C12	110.844
C5	C9	H10	109.091	C5	C9	H11	108.603
C5	C9	C12	113.963	H6	C5	H7	107.443
H6	C5	H8	107.882	H6	C5	C9	111.957
H7	C5	H8	108.018	H7	C5	C9	110.493
H8	C5	C9	110.886	C9	C12	C13	121.504
H10	C9	H11	106.640	H10	C9	C12	109.186
H11	C9	C12	109.101	C12	C13	H14	121.629
C12	C13	H15	121.788	H14	C13	H15	116.582

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

using model chemistry: B3LYP/CEP-121G*

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	-0.674
2	H	0.172
3	H	0.177
4	H	0.164
5	C	-0.555
6	H	0.162
7	H	0.169
8	H	0.165
9	C	-0.322
10	H	0.167
11	H	0.149
12	C	0.561
13	C	-0.662
14	H	0.165
15	H	0.163

	x	y	z	Total
	-0.356	0.377	0.130	0.535
CHELPG
AIM
ESP

	x	y	z
x	10.158	-0.997	-0.649
y	-0.997	9.745	0.392
z	-0.649	0.392	7.082

<r²>	122.822
(<r²>)^1/2	11.083

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

using model chemistry: B3LYP/CEP-121G*

States and conformations

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