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	hartrees
Energy at 0K	-196.479992
Energy at 298.15K	-196.490101
Nuclear repulsion energy	175.608943

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3243	3108	19.62
2	A	3157	3026	10.21
3	A	3144	3013	22.07
4	A	3140	3009	31.32
5	A	3136	3005	37.58
6	A	3100	2971	23.23
7	A	3092	2963	15.05
8	A	3056	2929	28.36
9	A	3040	2913	25.23
10	A	3030	2904	28.75
11	A	1739	1667	15.29
12	A	1517	1454	2.83
13	A	1510	1447	5.59
14	A	1503	1441	10.85
15	A	1493	1431	10.57
16	A	1481	1419	2.83
17	A	1453	1392	0.30
18	A	1417	1358	4.40
19	A	1413	1354	3.69
20	A	1358	1302	1.44
21	A	1314	1259	2.07
22	A	1276	1223	1.71
23	A	1118	1072	0.46
24	A	1098	1052	6.29
25	A	1054	1010	1.12
26	A	1031	988	1.22
27	A	1000	959	1.22
28	A	951	911	1.36
29	A	919	881	42.73
30	A	802	769	1.92
31	A	782	749	1.58
32	A	725	695	0.14
33	A	535	513	5.96
34	A	431	413	1.69
35	A	397	381	0.69
36	A	262	251	0.13
37	A	223	214	0.45
38	A	182	175	0.32
39	A	68	65	0.06

Atom	x (Å)	y (Å)	z (Å)
C1	0.989	1.330	0.025
H2	0.367	1.888	-0.686
H3	2.032	1.443	-0.283
H4	0.865	1.820	0.999
C5	-1.912	0.083	-0.392
H6	-1.886	1.170	-0.515
H7	-2.905	-0.180	-0.015
H8	-1.797	-0.369	-1.383
C9	-0.820	-0.412	0.564
H10	-0.931	-1.492	0.711
H11	-0.975	0.054	1.548
C12	0.586	-0.118	0.096
C13	1.432	-1.099	-0.232
H14	1.141	-2.145	-0.174
H15	2.445	-0.892	-0.568

	C1	H2	H3	H4	C5	H6	H7	H8	C9	H10	H11	C12	C13	H14	H15
C1		1.0966	1.0931	1.0977	3.1853	2.9296	4.1771	3.5535	2.5685	3.4815	2.7937	1.5047	2.4827	3.4841	2.7220
H2	1.0966		1.7695	1.7584	2.9221	2.3709	3.9288	3.2031	2.8737	3.8805	3.1862	2.1638	3.2035	4.1380	3.4725
H3	1.0931	1.7695		1.7738	4.1733	3.9342	5.2041	4.3761	3.5058	4.2874	3.7843	2.1613	2.6129	3.6989	2.3888
H4	1.0977	1.7584	1.7738		3.5592	3.2070	4.3870	4.1893	2.8302	3.7786	2.6086	2.1561	3.2185	4.1441	3.5082
C5	3.1853	2.9221	4.1733	3.5592		1.0945	1.0947	1.0947	1.5334	2.1585	2.1550	2.5533	3.5503	3.7853	4.4679
H6	2.9296	2.3709	3.9342	3.2070	1.0945		1.7642	1.7688	2.1914	3.0823	2.5161	2.8537	4.0297	4.5017	4.7969
H7	4.1771	3.9288	5.2041	4.3870	1.0947	1.7642		1.7710	2.1764	2.4788	2.4947	3.4937	4.4388	4.5005	5.4254
H8	3.5535	3.2031	4.3761	4.1893	1.0947	1.7688	1.7710		2.1784	2.5290	3.0732	2.8157	3.5046	3.6392	4.3504
C9	2.5685	2.8737	3.5058	2.8302	1.5334	2.1914	2.1764	2.1784		1.0958	1.0999	1.5106	2.4854	2.7190	3.4887
H10	3.4815	3.8805	4.2874	3.7786	2.1585	3.0823	2.4788	2.5290	1.0958		1.7586	2.1372	2.5744	2.3457	3.6596
H11	2.7937	3.1862	3.7843	2.6086	2.1550	2.5161	2.4947	3.0732	1.0999	1.7586		2.1387	3.2081	3.5040	4.1314
C12	1.5047	2.1638	2.1613	2.1561	2.5533	2.8537	3.4937	2.8157	1.5106	2.1372	2.1387		1.3365	2.1189	2.1203
C13	2.4827	3.2035	2.6129	3.2185	3.5503	4.0297	4.4388	3.5046	2.4854	2.5744	3.2081	1.3365		1.0871	1.0871
H14	3.4841	4.1380	3.6989	4.1441	3.7853	4.5017	4.5005	3.6392	2.7190	2.3457	3.5040	2.1189	1.0871		1.8509
H15	2.7220	3.4725	2.3888	3.5082	4.4679	4.7969	5.4254	4.3504	3.4887	3.6596	4.1314	2.1203	1.0871	1.8509

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C12	C9	116.815	C1	C12	C13	121.699
H2	C1	H3	107.820	H2	C1	H4	106.518
H2	C1	C12	111.610	H3	C1	H4	108.130
H3	C1	C12	111.622	H4	C1	C12	110.921
C5	C9	H10	109.236	C5	C9	H11	108.728
C5	C9	C12	114.025	H6	C5	H7	107.389
H6	C5	H8	107.800	H6	C5	C9	111.918
H7	C5	H8	107.982	H7	C5	C9	110.711
H8	C5	C9	110.871	C9	C12	C13	121.485
H10	C9	H11	106.442	H10	C9	C12	109.129
H11	C9	C12	109.006	C12	C13	H14	121.579
C12	C13	H15	121.714	H14	C13	H15	116.707

All results from a given calculation for C₅H₁₀ (1-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
1	C	-0.431
2	H	0.139
3	H	0.134
4	H	0.136
5	C	-0.388
6	H	0.129
7	H	0.129
8	H	0.137
9	C	-0.283
10	H	0.127
11	H	0.127
12	C	0.156
13	C	-0.335
14	H	0.112
15	H	0.112

	x	y	z	Total
	-0.355	0.375	0.101	0.526
CHELPG
AIM
ESP

	x	y	z
x	0.000	0.000	0.000
y	0.000	0.000	0.000
z	0.000	0.000	0.000

<r²>	143.300
(<r²>)^1/2	11.971

All results from a given calculation for C5H10 (1-Butene, 2-methyl-)

using model chemistry: B3PW91/6-31G**

States and conformations

All results from a given calculation for C₅H₁₀ (1-Butene, 2-methyl-)