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	hartrees
Energy at 0K	-196.487431
Energy at 298.15K
Nuclear repulsion energy	174.604741

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3127	3118	23.20
2	A	3054	3044	13.33
3	A	3026	3017	24.68
4	A	3022	3013	43.59
5	A	3015	3006	38.47
6	A	2980	2971	15.52
7	A	2978	2969	25.34
8	A	2961	2952	29.00
9	A	2943	2934	31.30
10	A	2926	2918	28.14
11	A	1648	1643	18.37
12	A	1476	1471	2.83
13	A	1469	1464	4.32
14	A	1463	1459	10.95
15	A	1454	1449	8.12
16	A	1443	1438	2.16
17	A	1413	1409	0.08
18	A	1377	1373	2.75
19	A	1372	1368	2.65
20	A	1310	1306	2.41
21	A	1273	1269	0.96
22	A	1237	1233	2.13
23	A	1089	1086	0.74
24	A	1066	1063	3.94
25	A	1024	1021	0.79
26	A	984	981	0.22
27	A	975	972	0.98
28	A	907	905	2.16
29	A	891	888	38.35
30	A	783	781	1.49
31	A	748	746	0.98
32	A	704	702	0.11
33	A	525	523	6.27
34	A	424	423	1.78
35	A	390	389	0.67
36	A	254	253	0.32
37	A	220	219	0.28
38	A	181	180	0.19
39	A	73	73	0.06

Atom	x (Å)	y (Å)	z (Å)
C1	1.023	1.328	0.017
H2	0.395	1.901	-0.680
H3	2.063	1.420	-0.314
H4	0.930	1.819	0.997
C5	-1.931	0.087	-0.399
H6	-1.893	1.171	-0.564
H7	-2.925	-0.150	0.001
H8	-1.830	-0.407	-1.373
C9	-0.827	-0.387	0.577
H10	-0.949	-1.463	0.759
H11	-0.978	0.114	1.547
C12	0.590	-0.122	0.097
C13	1.419	-1.123	-0.231
H14	1.109	-2.165	-0.163
H15	2.435	-0.937	-0.576

	C1	H2	H3	H4	C5	H6	H7	H8	C9	H10	H11	C12	C13	H14	H15
C1		1.0991	1.0954	1.1006	3.2309	2.9773	4.2159	3.6165	2.5848	3.4969	2.7962	1.5148	2.4954	3.4989	2.7340
H2	1.0991		1.7744	1.7619	2.9631	2.4043	3.9616	3.2797	2.8831	3.8978	3.1681	2.1753	3.2243	4.1608	3.4965
H3	1.0954	1.7744		1.7788	4.2116	3.9717	5.2391	4.4287	3.5237	4.3050	3.7969	2.1712	2.6248	3.7128	2.4003
H4	1.1006	1.7619	1.7788		3.6236	3.2899	4.4419	4.2645	2.8518	3.7893	2.6168	2.1661	3.2260	4.1540	3.5127
C5	3.2309	2.9631	4.2116	3.6236		1.0966	1.0972	1.0971	1.5480	2.1701	2.1668	2.5780	3.5660	3.7914	4.4879
H6	2.9773	2.4043	3.9717	3.2899	1.0966		1.7690	1.7736	2.2060	3.0951	2.5321	2.8761	4.0422	4.5058	4.8134
H7	4.2159	3.9616	5.2391	4.4419	1.0972	1.7690		1.7753	2.1886	2.4913	2.5008	3.5168	4.4577	4.5129	5.4480
H8	3.6165	3.2797	4.4287	4.2645	1.0971	1.7736	1.7753		2.1930	2.5372	3.0860	2.8458	3.5173	3.6326	4.3707
C9	2.5848	2.8831	3.5237	2.8518	1.5480	2.2060	2.1886	2.1930		1.0977	1.1020	1.5203	2.4981	2.7314	3.5034
H10	3.4969	3.8978	4.3050	3.7893	2.1701	3.0951	2.4913	2.5372	1.0977		1.7636	2.1462	2.5884	2.3618	3.6750
H11	2.7962	3.1681	3.7969	2.6168	2.1668	2.5321	2.5008	3.0860	1.1020	1.7636		2.1488	3.2306	3.5323	4.1544
C12	1.5148	2.1753	2.1712	2.1661	2.5780	2.8761	3.5168	2.8458	1.5203	2.1462	2.1488		1.3408	2.1247	2.1261
C13	2.4954	3.2243	2.6248	3.2260	3.5660	4.0422	4.4577	3.5173	2.4981	2.5884	3.2306	1.3408		1.0890	1.0889
H14	3.4989	4.1608	3.7128	4.1540	3.7914	4.5058	4.5129	3.6326	2.7314	2.3618	3.5323	2.1247	1.0890		1.8535
H15	2.7340	3.4965	2.4003	3.5127	4.4879	4.8134	5.4480	4.3707	3.5034	3.6750	4.1544	2.1261	1.0889	1.8535

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C12	C9	116.781	C1	C12	C13	121.695
H2	C1	H3	107.910	H2	C1	H4	106.450
H2	C1	C12	111.663	H3	C1	H4	108.197
H3	C1	C12	111.564	H4	C1	C12	110.841
C5	C9	H10	109.033	C5	C9	H11	108.531
C5	C9	C12	114.325	H6	C5	H7	107.489
H6	C5	H8	107.900	H6	C5	C9	111.920
H7	C5	H8	108.012	H7	C5	C9	110.506
H8	C5	C9	110.855	C9	C12	C13	121.522
H10	C9	H11	106.596	H10	C9	C12	109.063
H11	C9	C12	109.012	C12	C13	H14	121.605
C12	C13	H15	121.752	H14	C13	H15	116.644

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

using model chemistry: BLYP/cc-pVTZ

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	-0.276
2	H	0.088
3	H	0.086
4	H	0.085
5	C	-0.274
6	H	0.086
7	H	0.087
8	H	0.089
9	C	-0.129
10	H	0.074
11	H	0.072
12	C	0.135
13	C	-0.297
14	H	0.087
15	H	0.087

	x	y	z	Total
	-0.352	0.382	0.136	0.537
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>	145.843
(<r²>)^1/2	12.077

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

using model chemistry: BLYP/cc-pVTZ

States and conformations

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