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	hartrees
Energy at 0K	-195.866380
Energy at 298.15K	-195.876003
HF Energy	-195.179048
Nuclear repulsion energy	174.147187

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3198	3039	33.89
2	A'	3183	3025	23.09
3	A'	3167	3010	26.64
4	A'	3159	3002	6.03
5	A'	3072	2919	20.46
6	A'	3066	2914	40.18
7	A'	3058	2906	26.58
8	A'	1745	1658	0.55
9	A'	1538	1461	16.68
10	A'	1535	1459	3.00
11	A'	1521	1445	3.14
12	A'	1457	1385	1.99
13	A'	1448	1376	5.24
14	A'	1445	1373	10.22
15	A'	1393	1324	1.44
16	A'	1259	1196	3.05
17	A'	1155	1098	6.71
18	A'	1085	1031	6.24
19	A'	988	939	2.18
20	A'	981	932	0.82
21	A'	782	743	1.51
22	A'	524	498	2.01
23	A'	386	367	0.30
24	A'	300	285	0.19
25	A"	3136	2980	19.38
26	A"	3130	2974	34.00
27	A"	3127	2972	13.38
28	A"	1530	1454	27.32
29	A"	1522	1446	0.73
30	A"	1507	1432	1.07
31	A"	1113	1058	0.01
32	A"	1068	1014	0.41
33	A"	1022	971	2.42
34	A"	806	766	16.80
35	A"	425	404	3.63
36	A"	260	247	1.90
37	A"	170	162	1.24
38	A"	100	95	0.47
39	A"	74	70	0.08

Atom	x (Å)	y (Å)	z (Å)
C1	-1.505	0.500	0.000
H2	-1.969	-0.486	0.000
H3	-1.869	1.045	0.879
H4	-1.869	1.045	-0.879
C5	0.262	-2.098	0.000
H6	0.641	-2.630	-0.879
H7	0.641	-2.630	0.879
H8	-0.825	-2.187	0.000
C9	0.738	-0.674	0.000
H10	1.823	-0.557	0.000
C11	0.000	0.452	0.000
C12	0.663	1.805	0.000
H13	1.752	1.721	0.000
H14	0.364	2.386	0.879
H15	0.364	2.386	-0.879

	C1	H2	H3	H4	C5	H6	H7	H8	C9	H10	C11	C12	H13	H14	H15
C1		1.0897	1.0958	1.0958	3.1418	3.8956	3.8956	2.7721	2.5319	3.4919	1.5059	2.5304	3.4787	2.7972	2.7972
H2	1.0897		1.7677	1.7677	2.7525	3.4904	3.4904	2.0506	2.7139	3.7930	2.1812	3.4894	4.3267	3.8034	3.8034
H3	1.0958	1.7677		1.7573	3.8969	4.7843	4.4499	3.5082	3.2436	4.1187	2.1482	2.7854	3.7867	2.6044	3.1423
H4	1.0958	1.7677	1.7573		3.8969	4.4499	4.7843	3.5082	3.2436	4.1187	2.1482	2.7854	3.7867	3.1423	2.6044
C5	3.1418	2.7525	3.8969	3.8969		1.0950	1.0950	1.0901	1.5012	2.1938	2.5632	3.9232	4.0995	4.5707	4.5707
H6	3.8956	3.4904	4.7843	4.4499	1.0950		1.7572	1.7651	2.1466	2.5436	3.2684	4.5213	4.5763	5.3229	5.0242
H7	3.8956	3.4904	4.4499	4.7843	1.0950	1.7572		1.7651	2.1466	2.5436	3.2684	4.5213	4.5763	5.0242	5.3229
H8	2.7721	2.0506	3.5082	3.5082	1.0901	1.7651	1.7651		2.1752	3.1095	2.7650	4.2602	4.6814	4.8065	4.8065
C9	2.5319	2.7139	3.2436	3.2436	1.5012	2.1466	2.1466	2.1752		1.0913	1.3464	2.4800	2.6012	3.2062	3.2062
H10	3.4919	3.7930	4.1187	4.1187	2.1938	2.5436	2.5436	3.1095	1.0913		2.0834	2.6309	2.2789	3.4005	3.4005
C11	1.5059	2.1812	2.1482	2.1482	2.5632	3.2684	3.2684	2.7650	1.3464	2.0834		1.5065	2.1636	2.1558	2.1558
C12	2.5304	3.4894	2.7854	2.7854	3.9232	4.5213	4.5213	4.2602	2.4800	2.6309	1.5065		1.0923	1.0960	1.0960
H13	3.4787	4.3267	3.7867	3.7867	4.0995	4.5763	4.5763	4.6814	2.6012	2.2789	2.1636	1.0923		1.7730	1.7730
H14	2.7972	3.8034	2.6044	3.1423	4.5707	5.3229	5.0242	4.8065	3.2062	3.4005	2.1558	1.0960	1.7730		1.7589
H15	2.7972	3.8034	3.1423	2.6044	4.5707	5.0242	5.3229	4.8065	3.2062	3.4005	2.1558	1.0960	1.7730	1.7589

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C11	C9	125.073	C1	C11	C12	114.280
H2	C1	H3	107.965	H2	C1	H4	107.965
H2	C1	C11	113.381	H3	C1	H4	106.615
H3	C1	C11	110.325	H4	C1	C11	110.325
C5	C9	H10	114.683	C5	C9	C11	128.259
H6	C5	H7	106.713	H6	C5	H8	107.760
H6	C5	C9	110.568	H7	C5	H8	107.760
H7	C5	C9	110.568	H8	C5	C9	113.204
C9	C11	C12	120.647	H10	C9	C11	117.058
C11	C12	H13	111.723	C11	C12	H14	110.872
C11	C12	H15	110.872	H13	C12	H14	108.230
H13	C12	H15	108.230	H14	C12	H15	106.729

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

using model chemistry: MP2/6-311G*

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

using model chemistry: MP2/6-311G*

States and conformations

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