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	hartrees
Energy at 0K	-34.267541
Energy at 298.15K	-34.277257
Nuclear repulsion energy	97.348356

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3118	3022	68.90
2	A	3106	3011	47.16
3	A	3093	2998	10.15
4	A	3087	2993	19.73
5	A	3003	2911	12.53
6	A	3000	2908	105.39
7	A	2991	2900	36.42
8	A	1713	1660	1.48
9	A	1509	1463	11.86
10	A	1506	1460	1.22
11	A	1493	1448	1.74
12	A	1429	1386	0.69
13	A	1420	1376	0.54
14	A	1416	1372	5.14
15	A	1365	1324	4.75
16	A	1221	1184	4.65
17	A	1116	1082	8.75
18	A	1057	1024	3.79
19	A	956	927	1.29
20	A	947	918	2.45
21	A	755	732	1.50
22	A	513	497	1.78
23	A	372	361	0.31
24	A	293	284	0.20
25	A	3043	2950	41.17
26	A	3041	2948	63.49
27	A	3035	2942	16.97
28	A	1502	1456	19.84
29	A	1496	1450	1.46
30	A	1483	1438	0.85
31	A	1094	1061	0.21
32	A	1056	1023	2.44
33	A	1012	981	3.05
34	A	824	799	14.60
35	A	440	426	2.77
36	A	259	251	1.89
37	A	181	176	1.38
38	A	140	135	0.11
39	A	118	115	0.61

Atom	x (Å)	y (Å)	z (Å)
C1	-1.521	0.461	0.000
H2	-1.961	-0.541	0.000
H3	-1.905	0.997	0.882
H4	-1.905	0.997	-0.882
C5	0.331	-2.109	0.000
H6	0.727	-2.634	-0.882
H7	0.727	-2.634	0.882
H8	-0.757	-2.232	0.000
C9	0.769	-0.657	0.000
H10	1.853	-0.511	0.000
C11	0.000	0.453	0.000
C12	0.634	1.837	0.000
H13	1.729	1.784	0.000
H14	0.320	2.417	0.882
H15	0.320	2.417	-0.882

	C1	H2	H3	H4	C5	H6	H7	H8	C9	H10	C11	C12	H13	H14	H15
C1		1.0939	1.1007	1.1007	3.1672	3.9256	3.9256	2.7985	2.5480	3.5116	1.5213	2.5577	3.5098	2.8277	2.8277
H2	1.0939		1.7735	1.7735	2.7762	3.5188	3.5188	2.0750	2.7318	3.8140	2.1984	3.5200	4.3615	3.8379	3.8379
H3	1.1007	1.7735		1.7631	3.9266	4.8187	4.4845	3.5378	3.2647	4.1439	2.1681	2.8161	3.8215	2.6396	3.1745
H4	1.1007	1.7735	1.7631		3.9266	4.4845	4.8187	3.5378	3.2647	4.1439	2.1681	2.8161	3.8215	3.1745	2.6396
C5	3.1672	2.7762	3.9266	3.9266		1.1003	1.1003	1.0947	1.5168	2.2071	2.5831	3.9576	4.1363	4.6105	4.6105
H6	3.9256	3.5188	4.8187	4.4845	1.1003		1.7634	1.7727	2.1657	2.5601	3.2921	4.5585	4.6155	5.3654	5.0672
H7	3.9256	3.5188	4.4845	4.8187	1.1003	1.7634		1.7727	2.1657	2.5601	3.2921	4.5585	4.6155	5.0672	5.3654
H8	2.7985	2.0750	3.5378	3.5378	1.0947	1.7727	1.7727		2.1930	3.1265	2.7894	4.3001	4.7231	4.8523	4.8523
C9	2.5480	2.7318	3.2647	3.2647	1.5168	2.1657	2.1657	2.1930		1.0942	1.3499	2.4974	2.6227	3.2285	3.2285
H10	3.5116	3.8140	4.1439	4.1439	2.2071	2.5601	2.5601	3.1265	1.0942		2.0889	2.6456	2.2982	3.4202	3.4202
C11	1.5213	2.1984	2.1681	2.1681	2.5831	3.2921	3.2921	2.7894	1.3499	2.0889		1.5225	2.1822	2.1762	2.1762
C12	2.5577	3.5200	2.8161	2.8161	3.9576	4.5585	4.5585	4.3001	2.4974	2.6456	1.5225		1.0964	1.1010	1.1010
H13	3.5098	4.3615	3.8215	3.8215	4.1363	4.6155	4.6155	4.7231	2.6227	2.2982	2.1822	1.0964		1.7787	1.7787
H14	2.8277	3.8379	2.6396	3.1745	4.6105	5.3654	5.0672	4.8523	3.2285	3.4202	2.1762	1.1010	1.7787		1.7641
H15	2.8277	3.8379	3.1745	2.6396	4.6105	5.0672	5.3654	4.8523	3.2285	3.4202	2.1762	1.1010	1.7787	1.7641

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C11	C9	124.995	C1	C11	C12	114.340
H2	C1	H3	107.827	H2	C1	H4	107.827
H2	C1	C11	113.399	H3	C1	H4	106.429
H3	C1	C11	110.533	H4	C1	C11	110.533
C5	C9	H10	114.438	C5	C9	C11	128.498
H6	C5	H7	106.512	H6	C5	H8	107.721
H6	C5	C9	110.683	H7	C5	H8	107.721
H7	C5	C9	110.683	H8	C5	C9	113.230
C9	C11	C12	120.665	H10	C9	C11	117.063
C11	C12	H13	111.836	C11	C12	H14	111.075
C11	C12	H15	111.075	H13	C12	H14	108.081
H13	C12	H15	108.081	H14	C12	H15	106.473

All results from a given calculation for C₅H₁₀ (2-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	-0.604
2	H	0.165
3	H	0.163
4	H	0.163
5	C	-0.579
6	H	0.166
7	H	0.166
8	H	0.162
9	C	-0.277
10	H	0.172
11	C	0.438
12	C	-0.630
13	H	0.178
14	H	0.159
15	H	0.159

	x	y	z	Total
	-0.183	0.041	0.000	0.188
CHELPG
AIM
ESP

	x	y	z
x	11.813	-0.973	0.018
y	-0.973	9.037	-0.012
z	0.018	-0.012	6.714

<r²>	129.442
(<r²>)^1/2	11.377

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

using model chemistry: B3LYP/CEP-121G*

States and conformations

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