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	hartrees
Energy at 0K	-195.343831
Energy at 298.15K	-195.353999
Nuclear repulsion energy	175.965465

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3247	3107	17.09
2	A	3165	3028	7.09
3	A	3156	3020	29.81
4	A	3148	3012	6.49
5	A	3145	3009	41.11
6	A	3111	2976	13.78
7	A	3108	2974	13.86
8	A	3072	2939	20.89
9	A	3058	2926	22.70
10	A	3053	2921	15.43
11	A	1743	1667	12.32
12	A	1566	1498	4.84
13	A	1563	1495	10.38
14	A	1551	1483	11.81
15	A	1544	1477	18.47
16	A	1529	1462	2.42
17	A	1493	1429	0.40
18	A	1455	1392	9.07
19	A	1445	1383	11.09
20	A	1364	1305	0.32
21	A	1339	1281	1.90
22	A	1294	1238	1.88
23	A	1144	1094	0.04
24	A	1122	1073	11.16
25	A	1083	1036	5.35
26	A	1035	990	1.52
27	A	1022	978	0.86
28	A	949	908	49.59
29	A	948	907	7.29
30	A	819	783	3.21
31	A	779	745	1.75
32	A	734	702	0.24
33	A	541	517	9.42
34	A	430	411	1.21
35	A	387	370	0.97
36	A	274	263	0.37
37	A	224	214	0.67
38	A	181	173	0.56
39	A	63	60	0.04

Atom	x (Å)	y (Å)	z (Å)
C1	0.991	1.327	0.015
H2	0.331	1.875	-0.667
H3	2.017	1.425	-0.348
H4	0.920	1.806	0.998
C5	-1.881	0.074	-0.422
H6	-1.799	1.146	-0.622
H7	-2.891	-0.127	-0.054
H8	-1.738	-0.464	-1.363
C9	-0.825	-0.377	0.607
H10	-0.951	-1.445	0.814
H11	-0.981	0.167	1.548
C12	0.582	-0.123	0.110
C13	1.399	-1.117	-0.234
H14	1.094	-2.155	-0.153
H15	2.401	-0.929	-0.605

	C1	H2	H3	H4	C5	H6	H7	H8	C9	H10	H11	C12	C13	H14	H15
C1		1.0958	1.0926	1.0967	3.1639	2.8676	4.1462	3.5433	2.5593	3.4770	2.7540	1.5093	2.4902	3.4876	2.7311
H2	1.0958		1.7744	1.7676	2.8628	2.2516	3.8425	3.1996	2.8334	3.8540	3.0890	2.1581	3.2065	4.1339	3.4858
H3	1.0926	1.7744		1.7780	4.1265	3.8364	5.1564	4.3247	3.4977	4.2885	3.7635	2.1600	2.6186	3.7024	2.3986
H4	1.0967	1.7676	1.7780		3.5869	3.2334	4.4012	4.2187	2.8218	3.7552	2.5696	2.1508	3.2083	4.1292	3.4990
C5	3.1639	2.8628	4.1265	3.5869		1.0935	1.0939	1.0932	1.5424	2.1679	2.1680	2.5274	3.4949	3.7273	4.4017
H6	2.8676	2.2516	3.8364	3.2334	1.0935		1.7707	1.7737	2.1860	3.0809	2.5169	2.7953	3.9371	4.4145	4.6847
H7	4.1462	3.8425	5.1564	4.4012	1.0939	1.7707		1.7771	2.1842	2.5011	2.5102	3.4770	4.4069	4.4730	5.3810
H8	3.5433	3.1996	4.3247	4.2187	1.0932	1.7737	1.7771		2.1734	2.5140	3.0732	2.7690	3.3977	3.5134	4.2336
C9	2.5593	2.8334	3.4977	2.8218	1.5424	2.1860	2.1842	2.1734		1.0948	1.0976	1.5132	2.4899	2.7243	3.4896
H10	3.4770	3.8540	4.2885	3.7552	2.1679	3.0809	2.5011	2.5140	1.0948		1.7708	2.1427	2.5934	2.3708	3.6758
H11	2.7540	3.0890	3.7635	2.5696	2.1680	2.5169	2.5102	3.0732	1.0976	1.7708		2.1433	3.2381	3.5482	4.1556
C12	1.5093	2.1581	2.1600	2.1508	2.5274	2.7953	3.4770	2.7690	1.5132	2.1427	2.1433		1.3321	2.1124	2.1140
C13	2.4902	3.2065	2.6186	3.2083	3.4949	3.9371	4.4069	3.3977	2.4899	2.5934	3.2381	1.3321		1.0850	1.0848
H14	3.4876	4.1339	3.7024	4.1292	3.7273	4.4145	4.4730	3.5134	2.7243	2.3708	3.5482	2.1124	1.0850		1.8483
H15	2.7311	3.4858	2.3986	3.4990	4.4017	4.6847	5.3810	4.2336	3.4896	3.6758	4.1556	2.1140	1.0848	1.8483

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C12	C9	115.719	C1	C12	C13	122.295
H2	C1	H3	108.352	H2	C1	H4	107.458
H2	C1	C12	110.867	H3	C1	H4	108.605
H3	C1	C12	111.212	H4	C1	C12	110.232
C5	C9	H10	109.403	C5	C9	H11	109.249
C5	C9	C12	111.603	H6	C5	H7	108.094
H6	C5	H8	108.413	H6	C5	C9	110.908
H7	C5	H8	108.686	H7	C5	C9	110.738
H8	C5	C9	109.929	C9	C12	C13	121.983
H10	C9	H11	107.743	H10	C9	C12	109.438
H11	C9	C12	109.322	C12	C13	H14	121.501
C12	C13	H15	121.680	H14	C13	H15	116.819

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

using model chemistry: B1B95/3-21G

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	-0.634
2	H	0.218
3	H	0.214
4	H	0.215
5	C	-0.596
6	H	0.205
7	H	0.207
8	H	0.215
9	C	-0.467
10	H	0.215
11	H	0.214
12	C	0.016
13	C	-0.404
14	H	0.190
15	H	0.190

	x	y	z	Total
	-0.325	0.356	0.059	0.486
CHELPG
AIM
ESP

	x	y	z
x	8.397	-0.811	-0.755
y	-0.811	8.150	0.375
z	-0.755	0.375	5.502

<r²>	141.913
(<r²>)^1/2	11.913

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

using model chemistry: B1B95/3-21G

States and conformations

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