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	hartrees
Energy at 0K	-194.025789
Energy at 298.15K	-194.035380
Nuclear repulsion energy	171.871330

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3434	3178	1.24
2	A	3380	3127	4.38
3	A	3374	3121	1.76
4	A	3372	3120	4.04
5	A	3336	3086	2.40
6	A	3330	3080	2.23
7	A	3288	3042	6.15
8	A	3222	2981	5.88
9	A	3211	2971	2.97
10	A	3195	2956	2.59
11	A	1788	1654	3.18
12	A	1652	1528	1.88
13	A	1646	1523	2.79
14	A	1636	1514	4.83
15	A	1629	1507	4.69
16	A	1614	1493	0.42
17	A	1536	1421	0.50
18	A	1524	1410	0.43
19	A	1517	1404	0.61
20	A	1426	1319	4.21
21	A	1366	1263	4.93
22	A	1328	1228	5.50
23	A	1164	1077	0.48
24	A	1144	1058	7.60
25	A	1107	1024	3.06
26	A	1058	979	2.91
27	A	1047	969	0.78
28	A	971	899	0.92
29	A	925	856	21.59
30	A	838	775	3.52
31	A	787	729	1.05
32	A	751	695	0.03
33	A	531	492	2.48
34	A	419	388	0.72
35	A	380	352	0.49
36	A	245	227	0.38
37	A	212	196	0.11
38	A	154	142	0.14
39	A	63	59	0.01

Atom	x (Å)	y (Å)	z (Å)
C1	1.092	1.332	0.002
H2	0.458	1.916	-0.699
H3	2.139	1.371	-0.358
H4	1.039	1.833	0.993
C5	-1.951	0.101	-0.427
H6	-1.861	1.179	-0.666
H7	-2.965	-0.081	-0.016
H8	-1.845	-0.477	-1.367
C9	-0.858	-0.339	0.621
H10	-1.009	-1.411	0.869
H11	-1.004	0.248	1.556
C12	0.597	-0.133	0.106
C13	1.387	-1.180	-0.229
H14	1.035	-2.223	-0.148
H15	2.418	-1.039	-0.597

	C1	H2	H3	H4	C5	H6	H7	H8	C9	H10	H11	C12	C13	H14	H15
C1		1.1112	1.1077	1.1116	3.3110	3.0313	4.2964	3.7114	2.6419	3.5628	2.8257	1.5502	2.5401	3.5593	2.7816
H2	1.1112		1.8000	1.7912	3.0287	2.4330	4.0212	3.3876	2.9254	3.9601	3.1628	2.2062	3.2665	4.2157	3.5474
H3	1.1077	1.8000		1.8022	4.2836	4.0161	5.3177	4.5064	3.5869	4.3768	3.8476	2.2035	2.6629	3.7659	2.4376
H4	1.1116	1.7912	1.8022		3.7361	3.4043	4.5513	4.3844	2.9077	3.8384	2.6463	2.2013	3.2698	4.2137	3.5599
C5	3.3110	3.0287	4.2836	3.7361		1.1081	1.1090	1.1084	1.5761	2.2034	2.2020	2.6141	3.5809	3.7947	4.5188
H6	3.0313	2.4330	4.0161	3.4043	1.1081		1.7969	1.7981	2.2277	3.1293	2.5565	2.8912	4.0375	4.4979	4.8198
H7	4.2964	4.0212	5.3177	4.5513	1.1090	1.7969		1.7991	2.2160	2.5265	2.5345	3.5650	4.4940	4.5405	5.4988
H8	3.7114	3.3876	4.5064	4.3844	1.1084	1.7981	1.7991		2.2231	2.5638	3.1265	2.8730	3.4978	3.5823	4.3687
C9	2.6419	2.9254	3.5869	2.9077	1.5761	2.2277	2.2160	2.2231		1.1113	1.1140	1.5574	2.5439	2.7803	3.5647
H10	3.5628	3.9601	4.3768	3.8384	2.2034	3.1293	2.5265	2.5638	1.1113		1.7962	2.1898	2.6456	2.4237	3.7458
H11	2.8257	3.1628	3.8476	2.6463	2.2020	2.5565	2.5345	3.1265	1.1140	1.7962		2.1936	3.3084	3.6299	4.2430
C12	1.5502	2.2062	2.2035	2.2013	2.6141	2.8912	3.5650	2.8730	1.5574	2.1898	2.1936		1.3536	2.1509	2.1517
C13	2.5401	3.2665	2.6629	3.2698	3.5809	4.0375	4.4940	3.4978	2.5439	2.6456	3.3084	1.3536		1.1039	1.1038
H14	3.5593	4.2157	3.7659	4.2137	3.7947	4.4979	4.5405	3.5823	2.7803	2.4237	3.6299	2.1509	1.1039		1.8752
H15	2.7816	3.5474	2.4376	3.5599	4.5188	4.8198	5.4988	4.3687	3.5647	3.7458	4.2430	2.1517	1.1038	1.8752

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C12	C9	116.452	C1	C12	C13	121.883
H2	C1	H3	108.434	H2	C1	H4	107.385
H2	C1	C12	110.908	H3	C1	H4	108.594
H3	C1	C12	110.904	H4	C1	C12	110.505
C5	C9	H10	108.913	C5	C9	H11	108.665
C5	C9	C12	113.071	H6	C5	H7	108.285
H6	C5	H8	108.429	H6	C5	C9	110.981
H7	C5	H8	108.451	H7	C5	C9	110.017
H8	C5	C9	110.601	C9	C12	C13	121.665
H10	C9	H11	107.641	H10	C9	C12	109.132
H11	C9	C12	109.275	C12	C13	H14	121.817
C12	C13	H15	121.896	H14	C13	H15	116.287

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

using model chemistry: BLYP/STO-3G

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	-0.218
2	H	0.076
3	H	0.076
4	H	0.076
5	C	-0.210
6	H	0.070
7	H	0.072
8	H	0.073
9	C	-0.131
10	H	0.072
11	H	0.071
12	C	0.006
13	C	-0.168
14	H	0.067
15	H	0.067

	x	y	z	Total
	-0.278	0.309	0.072	0.422
CHELPG
AIM
ESP

	x	y	z
x	5.077	-0.633	-0.553
y	-0.633	5.073	0.288
z	-0.553	0.288	3.025

<r²>	147.511
(<r²>)^1/2	12.145

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

using model chemistry: BLYP/STO-3G

States and conformations

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