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	hartrees
Energy at 0K	-196.543538
Energy at 298.15K	-196.553361
Nuclear repulsion energy	174.860648

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3157	3020	46.22
2	A	3150	3013	31.00
3	A	3136	3001	12.26
4	A	3133	2998	7.79
5	A	3041	2910	11.80
6	A	3039	2907	69.74
7	A	3031	2900	28.48
8	A	1768	1691	1.68
9	A	1500	1435	14.47
10	A	1498	1433	2.30
11	A	1482	1418	2.30
12	A	1421	1360	4.42
13	A	1420	1358	3.02
14	A	1411	1350	7.94
15	A	1369	1309	1.72
16	A	1247	1193	4.26
17	A	1140	1091	10.44
18	A	1073	1026	7.19
19	A	975	932	3.57
20	A	962	920	0.93
21	A	784	750	1.72
22	A	528	505	2.23
23	A	381	365	0.49
24	A	299	286	0.27
25	A	3089	2955	28.68
26	A	3088	2954	29.81
27	A	3083	2950	16.94
28	A	1492	1427	22.82
29	A	1484	1420	2.06
30	A	1471	1408	0.88
31	A	1102	1054	0.19
32	A	1062	1016	1.03
33	A	1016	972	3.05
34	A	832	796	13.55
35	A	456	436	4.09
36	A	264	253	2.13
37	A	182	175	1.38
38	A	138	132	0.04
39	A	121	116	0.71

Atom	x (Å)	y (Å)	z (Å)
C1	-1.500	0.486	0.000
H2	-1.956	-0.502	0.000
H3	-1.869	1.028	0.877
H4	-1.869	1.028	-0.877
C5	0.268	-2.085	0.000
H6	0.648	-2.619	-0.877
H7	0.648	-2.619	0.877
H8	-0.818	-2.180	0.000
C9	0.735	-0.666	0.000
H10	1.817	-0.541	0.000
C11	0.000	0.449	0.000
C12	0.655	1.801	0.000
H13	1.743	1.724	0.000
H14	0.354	2.383	0.878
H15	0.354	2.383	-0.878

	C1	H2	H3	H4	C5	H6	H7	H8	C9	H10	C11	C12	H13	H14	H15
C1		1.0888	1.0953	1.0953	3.1203	3.8761	3.8761	2.7515	2.5143	3.4720	1.5003	2.5241	3.4709	2.7935	2.7935
H2	1.0888		1.7659	1.7659	2.7300	3.4688	3.4688	2.0272	2.6965	3.7733	2.1756	3.4818	4.3175	3.7989	3.7989
H3	1.0953	1.7659		1.7547	3.8765	4.7659	4.4312	3.4874	3.2282	4.1011	2.1445	2.7820	3.7820	2.6036	3.1400
H4	1.0953	1.7659	1.7547		3.8765	4.4312	4.7659	3.4874	3.2282	4.1011	2.1445	2.7820	3.7820	3.1400	2.6036
C5	3.1203	2.7300	3.8765	3.8765		1.0949	1.0949	1.0898	1.4943	2.1868	2.5485	3.9052	4.0844	4.5543	4.5543
H6	3.8761	3.4688	4.7659	4.4312	1.0949		1.7542	1.7638	2.1430	2.5401	3.2564	4.5060	4.5637	5.3090	5.0106
H7	3.8761	3.4688	4.4312	4.7659	1.0949	1.7542		1.7638	2.1430	2.5401	3.2564	4.5060	4.5637	5.0106	5.3090
H8	2.7515	2.0272	3.4874	3.4874	1.0898	1.7638	1.7638		2.1687	3.1024	2.7531	4.2441	4.6683	4.7916	4.7916
C9	2.5143	2.6965	3.2282	3.2282	1.4943	2.1430	2.1430	2.1687		1.0887	1.3355	2.4678	2.5932	3.1954	3.1954
H10	3.4720	3.7733	4.1011	4.1011	2.1868	2.5401	2.5401	3.1024	1.0887		2.0692	2.6144	2.2661	3.3856	3.3856
C11	1.5003	2.1756	2.1445	2.1445	2.5485	3.2564	3.2564	2.7531	1.3355	2.0692		1.5018	2.1592	2.1528	2.1528
C12	2.5241	3.4818	2.7820	2.7820	3.9052	4.5060	4.5060	4.2441	2.4678	2.6144	1.5018		1.0908	1.0956	1.0956
H13	3.4709	4.3175	3.7820	3.7820	4.0844	4.5637	4.5637	4.6683	2.5932	2.2661	2.1592	1.0908		1.7707	1.7707
H14	2.7935	3.7989	2.6036	3.1400	4.5543	5.3090	5.0106	4.7916	3.1954	3.3856	2.1528	1.0956	1.7707		1.7558
H15	2.7935	3.7989	3.1400	2.6036	4.5543	5.0106	5.3090	4.7916	3.1954	3.3856	2.1528	1.0956	1.7707	1.7558

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C11	C9	124.803	C1	C11	C12	114.446
H2	C1	H3	107.899	H2	C1	H4	107.899
H2	C1	C11	113.386	H3	C1	H4	106.458
H3	C1	C11	110.457	H4	C1	C11	110.457
C5	C9	H10	114.783	C5	C9	C11	128.383
H6	C5	H7	106.466	H6	C5	H8	107.672
H6	C5	C9	110.772	H7	C5	H8	107.672
H7	C5	C9	110.772	H8	C5	C9	113.191
C9	C11	C12	120.751	H10	C9	C11	116.833
C11	C12	H13	111.797	C11	C12	H14	110.994
C11	C12	H15	110.994	H13	C12	H14	108.168
H13	C12	H15	108.168	H14	C12	H15	106.514

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

using model chemistry: mPW1PW91/6-311G**

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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Number	Element	Mulliken
1	C	-0.292
2	H	0.116
3	H	0.127
4	H	0.127
5	C	-0.311
6	H	0.128
7	H	0.128
8	H	0.114
9	C	-0.131
10	H	0.095
11	C	-0.177
12	C	-0.287
13	H	0.115
14	H	0.124
15	H	0.124

	x	y	z	Total
	-0.193	0.057	0.000	0.202
CHELPG
AIM
ESP

	x	y	z
x	8.777	-1.063	0.000
y	-1.063	11.085	0.000
z	0.000	0.000	6.313

<r²>	150.081
(<r²>)^1/2	12.251

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

using model chemistry: mPW1PW91/6-311G**

States and conformations

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