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	hartrees
Energy at 0K	-196.470823
Energy at 298.15K	-196.480637
Nuclear repulsion energy	174.227046

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3160	3024	48.63
2	A	3153	3016	30.66
3	A	3139	3003	10.92
4	A	3136	3000	11.07
5	A	3042	2910	8.85
6	A	3039	2908	75.94
7	A	3032	2901	27.71
8	A	1771	1694	1.10
9	A	1524	1458	12.05
10	A	1523	1457	1.46
11	A	1506	1441	1.66
12	A	1446	1384	1.33
13	A	1438	1376	1.66
14	A	1434	1372	6.76
15	A	1386	1326	3.21
16	A	1252	1197	4.70
17	A	1147	1097	9.39
18	A	1080	1033	7.79
19	A	981	938	2.84
20	A	970	928	1.08
21	A	783	749	1.85
22	A	526	503	2.40
23	A	381	365	0.45
24	A	299	286	0.24
25	A	3090	2956	33.85
26	A	3089	2955	29.22
27	A	3084	2951	14.79
28	A	1515	1449	19.56
29	A	1507	1442	1.63
30	A	1495	1431	0.78
31	A	1113	1065	0.78
32	A	1069	1022	0.52
33	A	1026	982	2.33
34	A	833	797	12.40
35	A	453	433	2.44
36	A	264	253	1.58
37	A	185	177	1.29
38	A	149	143	0.05
39	A	125	120	0.75

Atom	x (Å)	y (Å)	z (Å)
C1	-1.504	0.498	0.000
H2	-1.969	-0.491	0.000
H3	-1.875	1.042	0.880
H4	-1.875	1.042	-0.880
C5	0.264	-2.095	0.000
H6	0.644	-2.632	-0.880
H7	0.644	-2.632	0.880
H8	-0.825	-2.190	0.000
C9	0.733	-0.672	0.000
H10	1.819	-0.554	0.000
C11	0.000	0.451	0.000
C12	0.664	1.803	0.000
H13	1.756	1.722	0.000
H14	0.367	2.391	0.880
H15	0.367	2.391	-0.880

	C1	H2	H3	H4	C5	H6	H7	H8	C9	H10	C11	C12	H13	H14	H15
C1		1.0926	1.0990	1.0990	3.1376	3.8962	3.8962	2.7719	2.5244	3.4850	1.5045	2.5308	3.4823	2.8038	2.8038
H2	1.0926		1.7701	1.7701	2.7491	3.4908	3.4908	2.0480	2.7084	3.7883	2.1828	3.4924	4.3330	3.8132	3.8132
H3	1.0990	1.7701		1.7592	3.8970	4.7893	4.4544	3.5102	3.2424	4.1185	2.1534	2.7926	3.7971	2.6166	3.1532
H4	1.0990	1.7701	1.7592		3.8970	4.4544	4.7893	3.5102	3.2424	4.1185	2.1534	2.7926	3.7971	3.1532	2.6166
C5	3.1376	2.7491	3.8970	3.8970		1.0987	1.0987	1.0934	1.4983	2.1891	2.5596	3.9183	4.0986	4.5727	4.5727
H6	3.8962	3.4908	4.7893	4.4544	1.0987		1.7595	1.7688	2.1501	2.5439	3.2702	4.5214	4.5794	5.3296	5.0307
H7	3.8962	3.4908	4.4544	4.7893	1.0987	1.7595		1.7688	2.1501	2.5439	3.2702	4.5214	4.5794	5.0307	5.3296
H8	2.7719	2.0480	3.5102	3.5102	1.0934	1.7688	1.7688		2.1758	3.1094	2.7673	4.2619	4.6874	4.8151	4.8151
C9	2.5244	2.7084	3.2424	3.2424	1.4983	2.1501	2.1501	2.1758		1.0919	1.3414	2.4760	2.6037	3.2081	3.2081
H10	3.4850	3.7883	4.1185	4.1185	2.1891	2.5439	2.5439	3.1094	1.0919		2.0781	2.6245	2.2773	3.3993	3.3993
C11	1.5045	2.1828	2.1534	2.1534	2.5596	3.2702	3.2702	2.7673	1.3414	2.0781		1.5062	2.1679	2.1617	2.1617
C12	2.5308	3.4924	2.7926	2.7926	3.9183	4.5214	4.5214	4.2619	2.4760	2.6245	1.5062		1.0947	1.0993	1.0993
H13	3.4823	4.3330	3.7971	3.7971	4.0986	4.5794	4.5794	4.6874	2.6037	2.2773	2.1679	1.0947		1.7747	1.7747
H14	2.8038	3.8132	2.6166	3.1532	4.5727	5.3296	5.0307	4.8151	3.2081	3.3993	2.1617	1.0993	1.7747		1.7598
H15	2.8038	3.8132	3.1532	2.6166	4.5727	5.0307	5.3296	4.8151	3.2081	3.3993	2.1617	1.0993	1.7747	1.7598

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C11	C9	124.905	C1	C11	C12	114.405
H2	C1	H3	107.739	H2	C1	H4	107.739
H2	C1	C11	113.435	H3	C1	H4	106.335
H3	C1	C11	110.642	H4	C1	C11	110.642
C5	C9	H10	114.470	C5	C9	C11	128.597
H6	C5	H7	106.404	H6	C5	H8	107.593
H6	C5	C9	110.838	H7	C5	H8	107.593
H7	C5	C9	110.838	H8	C5	C9	113.263
C9	C11	C12	120.691	H10	C9	C11	116.933
C11	C12	H13	111.951	C11	C12	H14	111.169
C11	C12	H15	111.169	H13	C12	H14	107.983
H13	C12	H15	107.983	H14	C12	H15	106.347

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

using model chemistry: B3PW91/6-31G*

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	ESP
1	C	-0.573	-0.336
2	H	0.175	0.101
3	H	0.174	0.101
4	H	0.174	0.101
5	C	-0.555	-0.236
6	H	0.176	0.086
7	H	0.176	0.086
8	H	0.173	0.086
9	C	-0.180	-0.236
10	H	0.140	0.133
11	C	0.172	0.231
12	C	-0.568	-0.601
13	H	0.173	0.146
14	H	0.171	0.169
15	H	0.171	0.169

	x	y	z	Total
	-0.172	0.058	0.000	0.182
CHELPG
AIM
ESP	-0.225	0.065	0.000	0.234

<r²>	150.836
(<r²>)^1/2	12.282

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

using model chemistry: B3PW91/6-31G*

States and conformations

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