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	hartrees
Energy at 0K	-195.476257
Energy at 298.15K	-195.486141
Nuclear repulsion energy	173.743789

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3150	3030	46.17
2	A	3139	3020	19.48
3	A	3124	3006	3.95
4	A	3117	2998	15.49
5	A	3036	2921	8.55
6	A	3034	2918	59.75
7	A	3027	2912	18.62
8	A	1751	1685	0.58
9	A	1566	1507	13.22
10	A	1560	1501	2.37
11	A	1549	1490	1.99
12	A	1472	1416	3.60
13	A	1462	1407	5.03
14	A	1450	1394	5.50
15	A	1420	1366	3.82
16	A	1241	1193	5.70
17	A	1147	1103	11.79
18	A	1090	1049	7.12
19	A	985	948	0.85
20	A	966	930	3.47
21	A	763	734	1.96
22	A	533	513	2.33
23	A	384	369	0.51
24	A	307	296	0.20
25	A	3074	2957	50.28
26	A	3070	2953	15.84
27	A	3068	2952	5.61
28	A	1562	1503	22.34
29	A	1557	1498	1.81
30	A	1543	1484	1.21
31	A	1142	1098	2.76
32	A	1101	1060	0.00
33	A	1055	1015	2.25
34	A	848	816	16.72
35	A	444	427	3.73
36	A	262	252	2.04
37	A	189	182	1.40
38	A	162	156	0.08
39	A	121	117	0.92

Atom	x (Å)	y (Å)	z (Å)
C1	-1.517	0.471	0.000
H2	-1.955	-0.530	0.000
H3	-1.886	1.008	0.884
H4	-1.886	1.008	-0.884
C5	0.290	-2.097	0.000
H6	0.673	-2.626	-0.883
H7	0.673	-2.626	0.883
H8	-0.799	-2.185	0.000
C9	0.754	-0.660	0.000
H10	1.836	-0.534	0.000
C11	0.000	0.447	0.000
C12	0.635	1.827	0.000
H13	1.728	1.764	0.000
H14	0.320	2.397	0.885
H15	0.320	2.397	-0.885

	C1	H2	H3	H4	C5	H6	H7	H8	C9	H10	C11	C12	H13	H14	H15
C1		1.0918	1.0986	1.0986	3.1400	3.8943	3.8943	2.7510	2.5361	3.5003	1.5169	2.5439	3.4929	2.8049	2.8049
H2	1.0918		1.7752	1.7752	2.7379	3.4758	3.4758	2.0189	2.7113	3.7908	2.1849	3.5016	4.3383	3.8107	3.8107
H3	1.0986	1.7752		1.7683	3.8937	4.7834	4.4448	3.4872	3.2449	4.1247	2.1569	2.7942	3.7962	2.6065	3.1499
H4	1.0986	1.7752	1.7683		3.8937	4.4448	4.7834	3.4872	3.2449	4.1247	2.1569	2.7942	3.7962	3.1499	2.6065
C5	3.1400	2.7379	3.8937	3.8937		1.0985	1.0985	1.0926	1.5108	2.1989	2.5610	3.9397	4.1203	4.5810	4.5810
H6	3.8943	3.4758	4.7834	4.4448	1.0985		1.7668	1.7729	2.1571	2.5511	3.2675	4.5399	4.6002	5.3369	5.0355
H7	3.8943	3.4758	4.4448	4.7834	1.0985	1.7668		1.7729	2.1571	2.5511	3.2675	4.5399	4.6002	5.0355	5.3369
H8	2.7510	2.0189	3.4872	3.4872	1.0926	1.7729	1.7729		2.1767	3.1098	2.7508	4.2609	4.6883	4.7992	4.7992
C9	2.5361	2.7113	3.2449	3.2449	1.5108	2.1571	2.1571	2.1767		1.0899	1.3389	2.4895	2.6119	3.2116	3.2116
H10	3.5003	3.7908	4.1247	4.1247	2.1989	2.5511	2.5511	3.1098	1.0899		2.0819	2.6490	2.3004	3.4167	3.4167
C11	1.5169	2.1849	2.1569	2.1569	2.5610	3.2675	3.2675	2.7508	1.3389	2.0819		1.5193	2.1726	2.1652	2.1652
C12	2.5439	3.5016	2.7942	2.7942	3.9397	4.5399	4.5399	4.2609	2.4895	2.6490	1.5193		1.0945	1.0986	1.0986
H13	3.4929	4.3383	3.7962	3.7962	4.1203	4.6002	4.6002	4.6883	2.6119	2.3004	2.1726	1.0945		1.7794	1.7794
H14	2.8049	3.8107	2.6065	3.1499	4.5810	5.3369	5.0355	4.7992	3.2116	3.4167	2.1652	1.0986	1.7794		1.7691
H15	2.8049	3.8107	3.1499	2.6065	4.5810	5.0355	5.3369	4.7992	3.2116	3.4167	2.1652	1.0986	1.7794	1.7691

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C11	C9	125.149	C1	C11	C12	113.830
H2	C1	H3	108.282	H2	C1	H4	108.282
H2	C1	C11	112.746	H3	C1	H4	107.186
H3	C1	C11	110.083	H4	C1	C11	110.083
C5	C9	H10	114.485	C5	C9	C11	127.872
H6	C5	H7	107.066	H6	C5	H8	108.022
H6	C5	C9	110.529	H7	C5	H8	108.022
H7	C5	C9	110.529	H8	C5	C9	112.474
C9	C11	C12	121.021	H10	C9	C11	117.644
C11	C12	H13	111.409	C11	C12	H14	110.569
C11	C12	H15	110.569	H13	C12	H14	108.459
H13	C12	H15	108.459	H14	C12	H15	107.244

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

using model chemistry: B3LYP/3-21G*

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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Number	Element	Mulliken
1	C	-0.600
2	H	0.198
3	H	0.197
4	H	0.197
5	C	-0.609
6	H	0.199
7	H	0.199
8	H	0.197
9	C	-0.168
10	H	0.169
11	C	0.024
12	C	-0.582
13	H	0.192
14	H	0.194
15	H	0.194

	x	y	z	Total
	-0.185	0.064	0.000	0.196
CHELPG
AIM
ESP

	x	y	z
x	10.000	-0.876	-0.000
y	-0.876	7.509	0.001
z	-0.000	0.001	5.244

<r²>	151.635
(<r²>)^1/2	12.314

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

using model chemistry: B3LYP/3-21G*

States and conformations

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