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	hartrees
Energy at 0K	-196.421098
Energy at 298.15K	-196.431134
Nuclear repulsion energy	175.779648

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3247	3121	17.61
2	A	3151	3029	12.30
3	A	3150	3028	14.09
4	A	3143	3021	27.35
5	A	3139	3018	32.86
6	A	3108	2988	18.73
7	A	3096	2976	12.93
8	A	3056	2937	27.95
9	A	3043	2925	24.26
10	A	3036	2918	28.61
11	A	1742	1675	17.58
12	A	1476	1419	4.57
13	A	1464	1408	3.64
14	A	1458	1401	12.19
15	A	1451	1395	11.14
16	A	1439	1383	2.65
17	A	1416	1361	0.38
18	A	1388	1334	4.82
19	A	1381	1327	1.23
20	A	1343	1291	1.58
21	A	1294	1244	2.46
22	A	1261	1212	1.52
23	A	1100	1057	0.59
24	A	1086	1044	4.43
25	A	1046	1005	0.98
26	A	1023	984	1.47
27	A	982	944	1.34
28	A	945	909	1.95
29	A	917	881	33.65
30	A	799	768	1.65
31	A	780	750	1.56
32	A	720	692	0.16
33	A	533	512	6.47
34	A	416	400	1.79
35	A	390	375	0.72
36	A	242	233	0.33
37	A	217	208	0.26
38	A	182	175	0.33
39	A	61	59	0.07

Atom	x (Å)	y (Å)	z (Å)
C1	0.972	1.333	0.029
H2	0.354	1.884	-0.696
H3	2.023	1.458	-0.262
H4	0.824	1.823	1.004
C5	-1.907	0.080	-0.386
H6	-1.895	1.175	-0.481
H7	-2.903	-0.204	-0.017
H8	-1.787	-0.344	-1.394
C9	-0.816	-0.426	0.553
H10	-0.916	-1.514	0.679
H11	-0.970	0.020	1.552
C12	0.585	-0.115	0.095
C13	1.442	-1.087	-0.232
H14	1.154	-2.139	-0.176
H15	2.459	-0.865	-0.562

	C1	H2	H3	H4	C5	H6	H7	H8	C9	H10	H11	C12	C13	H14	H15
C1		1.1009	1.0971	1.1019	3.1675	2.9165	4.1685	3.5285	2.5619	3.4769	2.7954	1.4999	2.4788	3.4824	2.7178
H2	1.1009		1.7764	1.7646	2.9091	2.3676	3.9274	3.1682	2.8747	3.8792	3.2061	2.1622	3.1984	4.1349	3.4649
H3	1.0971	1.7764		1.7816	4.1663	3.9340	5.2037	4.3639	3.5026	4.2836	3.7832	2.1604	2.6106	3.7011	2.3820
H4	1.1019	1.7646	1.7816		3.5258	3.1650	4.3631	4.1551	2.8194	3.7773	2.6019	2.1545	3.2221	4.1477	3.5145
C5	3.1675	2.9091	4.1663	3.5258		1.0993	1.0990	1.0996	1.5269	2.1585	2.1538	2.5459	3.5504	3.7870	4.4704
H6	2.9165	2.3676	3.9340	3.1650	1.0993		1.7700	1.7758	2.1907	3.0880	2.5146	2.8544	4.0395	4.5139	4.8085
H7	4.1685	3.9274	5.2037	4.3631	1.0990	1.7700		1.7775	2.1748	2.4793	2.4989	3.4905	4.4387	4.4974	5.4291
H8	3.5285	3.1682	4.3639	4.1551	1.0996	1.7758	1.7775		2.1776	2.5344	3.0782	2.8098	3.5115	3.6543	4.3576
C9	2.5619	2.8747	3.5026	2.8194	1.5269	2.1907	2.1748	2.1776		1.0997	1.1040	1.5063	2.4800	2.7106	3.4866
H10	3.4769	3.8792	4.2836	3.7773	2.1585	3.0880	2.4793	2.5344	1.0997		1.7653	2.1332	2.5634	2.3254	3.6534
H11	2.7954	3.2061	3.7832	2.6019	2.1538	2.5146	2.4989	3.0782	1.1040	1.7653		2.1353	3.1975	3.4870	4.1237
C12	1.4999	2.1622	2.1604	2.1545	2.5459	2.8544	3.4905	2.8098	1.5063	2.1332	2.1353		1.3365	2.1199	2.1220
C13	2.4788	3.1984	2.6106	3.2221	3.5504	4.0395	4.4387	3.5115	2.4800	2.5634	3.1975	1.3365		1.0918	1.0917
H14	3.4824	4.1349	3.7011	4.1477	3.7870	4.5139	4.4974	3.6543	2.7106	2.3254	3.4870	2.1199	1.0918		1.8638
H15	2.7178	3.4649	2.3820	3.5145	4.4704	4.8085	5.4291	4.3576	3.4866	3.6534	4.1237	2.1220	1.0917	1.8638

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C12	C9	116.903	C1	C12	C13	121.731
H2	C1	H3	107.840	H2	C1	H4	106.470
H2	C1	C12	111.562	H3	C1	H4	108.231
H3	C1	C12	111.644	H4	C1	C12	110.876
C5	C9	H10	109.446	C5	C9	H11	108.831
C5	C9	C12	114.140	H6	C5	H7	107.251
H6	C5	H8	107.726	H6	C5	C9	112.030
H7	C5	H8	107.901	H7	C5	C9	110.779
H8	C5	C9	110.967	C9	C12	C13	121.365
H10	C9	H11	106.456	H10	C9	C12	108.888
H11	C9	C12	108.799	C12	C13	H14	121.289
C12	C13	H15	121.507	H14	C13	H15	117.203

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

using model chemistry: B1B95/cc-pVDZ

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	0.032
2	H	0.043
3	H	0.027
4	H	0.039
5	C	-0.053
6	H	0.031
7	H	0.029
8	H	0.035
9	C	-0.002
10	H	0.015
11	H	0.028
12	C	-0.271
13	C	0.025
14	H	0.011
15	H	0.011

	x	y	z	Total
	-0.381	0.395	0.117	0.561
CHELPG
AIM
ESP

	x	y	z
x	9.595	-0.829	-0.674
y	-0.829	9.143	0.324
z	-0.674	0.324	6.427

<r²>	143.144
(<r²>)^1/2	11.964

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

using model chemistry: B1B95/cc-pVDZ

States and conformations

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