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	hartrees
Energy at 0K	-196.557775
Energy at 298.15K	-196.567611
Nuclear repulsion energy	174.015406

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3146	3022	51.30
2	A	3137	3014	30.63
3	A	3124	3002	4.91
4	A	3120	2998	16.39
5	A	3029	2910	7.88
6	A	3026	2907	79.28
7	A	3018	2900	26.75
8	A	1758	1689	1.01
9	A	1513	1453	8.89
10	A	1512	1452	1.02
11	A	1496	1437	1.19
12	A	1437	1381	0.60
13	A	1429	1373	0.56
14	A	1425	1369	4.56
15	A	1380	1326	4.09
16	A	1241	1192	4.94
17	A	1137	1092	9.65
18	A	1074	1031	6.05
19	A	974	936	2.06
20	A	964	926	1.62
21	A	774	744	1.62
22	A	527	506	2.17
23	A	383	368	0.41
24	A	300	288	0.24
25	A	3071	2950	41.18
26	A	3070	2949	30.02
27	A	3064	2944	14.32
28	A	1504	1445	14.78
29	A	1497	1438	1.46
30	A	1486	1427	0.62
31	A	1109	1066	0.42
32	A	1066	1024	0.66
33	A	1023	983	1.90
34	A	834	801	9.99
35	A	453	435	1.98
36	A	264	254	1.29
37	A	187	180	1.14
38	A	152	146	0.07
39	A	127	122	0.65

Atom	x (Å)	y (Å)	z (Å)
C1	-1.508	0.493	0.000
H2	-1.969	-0.496	0.000
H3	-1.880	1.037	0.879
H4	-1.880	1.037	-0.879
C5	0.269	-2.098	0.000
H6	0.651	-2.634	-0.879
H7	0.651	-2.634	0.879
H8	-0.819	-2.195	0.000
C9	0.737	-0.670	0.000
H10	1.821	-0.550	0.000
C11	0.000	0.451	0.000
C12	0.661	1.809	0.000
H13	1.752	1.732	0.000
H14	0.362	2.396	0.879
H15	0.362	2.396	-0.879

	C1	H2	H3	H4	C5	H6	H7	H8	C9	H10	C11	C12	H13	H14	H15
C1		1.0913	1.0980	1.0980	3.1419	3.9000	3.9000	2.7754	2.5281	3.4884	1.5088	2.5373	3.4877	2.8088	2.8088
H2	1.0913		1.7688	1.7688	2.7526	3.4938	3.4938	2.0522	2.7114	3.7904	2.1853	3.4976	4.3374	3.8169	3.8169
H3	1.0980	1.7688		1.7573	3.9007	4.7921	4.4582	3.5133	3.2451	4.1212	2.1562	2.7976	3.8009	2.6216	3.1563
H4	1.0980	1.7688	1.7573		3.9007	4.4582	4.7921	3.5133	3.2451	4.1212	2.1562	2.7976	3.8009	3.1563	2.6216
C5	3.1419	2.7526	3.9007	3.9007		1.0977	1.0977	1.0922	1.5024	2.1919	2.5634	3.9266	4.1072	4.5797	4.5797
H6	3.9000	3.4938	4.7921	4.4582	1.0977		1.7576	1.7674	2.1532	2.5465	3.2732	4.5290	4.5878	5.3357	5.0379
H7	3.9000	3.4938	4.4582	4.7921	1.0977	1.7576		1.7674	2.1532	2.5465	3.2732	4.5290	4.5878	5.0379	5.3357
H8	2.7754	2.0522	3.5133	3.5133	1.0922	1.7674	1.7674		2.1784	3.1104	2.7704	4.2691	4.6941	4.8212	4.8212
C9	2.5281	2.7114	3.2451	3.2451	1.5024	2.1532	2.1532	2.1784		1.0908	1.3416	2.4803	2.6080	3.2112	3.2112
H10	3.4884	3.7904	4.1212	4.1212	2.1919	2.5465	2.5465	3.1104	1.0908		2.0778	2.6284	2.2830	3.4025	3.4025
C11	1.5088	2.1853	2.1562	2.1562	2.5634	3.2732	3.2732	2.7704	1.3416	2.0778		1.5102	2.1702	2.1643	2.1643
C12	2.5373	3.4976	2.7976	2.7976	3.9266	4.5290	4.5290	4.2691	2.4803	2.6284	1.5102		1.0935	1.0983	1.0983
H13	3.4877	4.3374	3.8009	3.8009	4.1072	4.5878	4.5878	4.6941	2.6080	2.2830	2.1702	1.0935		1.7735	1.7735
H14	2.8088	3.8169	2.6216	3.1563	4.5797	5.3357	5.0379	4.8212	3.2112	3.4025	2.1643	1.0983	1.7735		1.7579
H15	2.8088	3.8169	3.1563	2.6216	4.5797	5.0379	5.3357	4.8212	3.2112	3.4025	2.1643	1.0983	1.7735	1.7579

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C11	C9	124.881	C1	C11	C12	114.379
H2	C1	H3	107.787	H2	C1	H4	107.787
H2	C1	C11	113.413	H3	C1	H4	106.300
H3	C1	C11	110.623	H4	C1	C11	110.623
C5	C9	H10	114.456	C5	C9	C11	128.577
H6	C5	H7	106.368	H6	C5	H8	107.611
H6	C5	C9	110.847	H7	C5	H8	107.611
H7	C5	C9	110.847	H8	C5	C9	113.244
C9	C11	C12	120.740	H10	C9	C11	116.967
C11	C12	H13	111.934	C11	C12	H14	111.153
C11	C12	H15	111.153	H13	C12	H14	108.028
H13	C12	H15	108.028	H14	C12	H15	106.305

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

using model chemistry: B3LYP/6-31G**

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	-0.365
2	H	0.106
3	H	0.111
4	H	0.111
5	C	-0.351
6	H	0.113
7	H	0.113
8	H	0.105
9	C	-0.107
10	H	0.068
11	C	0.138
12	C	-0.360
13	H	0.105
14	H	0.107
15	H	0.107

	x	y	z	Total
	-0.185	0.055	0.000	0.193
CHELPG
AIM
ESP

	x	y	z
x	10.693	-0.854	0.001
y	-0.854	8.102	0.001
z	0.001	0.001	5.793

<r²>	151.395
(<r²>)^1/2	12.304

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

using model chemistry: B3LYP/6-31G**

States and conformations

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