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	hartrees
Energy at 0K	-194.520778
Energy at 298.15K	-194.530987
HF Energy	-194.063212
Nuclear repulsion energy	174.557488

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3245	3097	18.39
2	A	3169	3025	31.73
3	A	3162	3018	7.93
4	A	3159	3015	24.83
5	A	3151	3008	22.78
6	A	3135	2992	20.88
7	A	3117	2975	10.51
8	A	3087	2946	17.96
9	A	3073	2933	15.30
10	A	3071	2931	20.19
11	A	1706	1628	3.61
12	A	1607	1534	3.84
13	A	1604	1531	6.39
14	A	1598	1525	6.83
15	A	1586	1514	11.83
16	A	1576	1504	1.11
17	A	1527	1457	0.19
18	A	1492	1424	4.41
19	A	1483	1415	5.87
20	A	1401	1337	0.56
21	A	1361	1299	0.79
22	A	1309	1249	2.63
23	A	1168	1115	0.10
24	A	1146	1094	7.01
25	A	1109	1059	3.85
26	A	1057	1009	1.24
27	A	1016	969	0.37
28	A	941	898	1.18
29	A	933	890	47.13
30	A	829	791	2.40
31	A	767	732	1.27
32	A	737	703	0.06
33	A	545	520	7.06
34	A	442	422	1.25
35	A	398	380	0.67
36	A	261	249	0.51
37	A	231	220	0.34
38	A	175	167	0.33
39	A	70	67	0.02

Atom	x (Å)	y (Å)	z (Å)
C1	1.053	1.320	-0.001
H2	0.419	1.885	-0.695
H3	2.086	1.362	-0.364
H4	1.005	1.813	0.978
C5	-1.903	0.086	-0.432
H6	-1.803	1.145	-0.689
H7	-2.916	-0.083	-0.050
H8	-1.766	-0.507	-1.342
C9	-0.842	-0.329	0.627
H10	-0.984	-1.387	0.885
H11	-0.986	0.260	1.542
C12	0.583	-0.127	0.115
C13	1.367	-1.163	-0.229
H14	1.027	-2.192	-0.136
H15	2.375	-1.018	-0.610

	C1	H2	H3	H4	C5	H6	H7	H8	C9	H10	H11	C12	C13	H14	H15
C1		1.0964	1.0956	1.0974	3.2324	2.9433	4.2100	3.6174	2.5892	3.5014	2.7684	1.5257	2.5132	3.5144	2.7544
H2	1.0964		1.7778	1.7739	2.9493	2.3423	3.9257	3.3041	2.8703	3.8943	3.1015	2.1747	3.2257	4.1594	3.5015
H3	1.0956	1.7778		1.7810	4.1890	3.9089	5.2160	4.3921	3.5233	4.3058	3.7798	2.1694	2.6291	3.7154	2.4107
H4	1.0974	1.7739	1.7810		3.6651	3.3336	4.4755	4.2953	2.8505	3.7691	2.5879	2.1649	3.2322	4.1572	3.5239
C5	3.2324	2.9493	4.1890	3.6651		1.0945	1.0956	1.0948	1.5562	2.1790	2.1842	2.5545	3.5068	3.7235	4.4221
H6	2.9433	2.3423	3.9089	3.3336	1.0945		1.7761	1.7775	2.1978	3.0915	2.5355	2.8210	3.9488	4.4107	4.7060
H7	4.2100	3.9257	5.2160	4.4755	1.0956	1.7761		1.7808	2.1960	2.5111	2.5254	3.5029	4.4209	4.4725	5.4022
H8	3.6174	3.3041	4.3921	4.2953	1.0948	1.7775	1.7808		2.1825	2.5185	3.0850	2.7903	3.3892	3.4778	4.2362
C9	2.5892	2.8703	3.5233	2.8505	1.5562	2.1978	2.1960	2.1825		1.0975	1.0985	1.5268	2.5112	2.7464	3.5145
H10	3.5014	3.8943	4.3058	3.7691	2.1790	3.0915	2.5111	2.5185	1.0975		1.7734	2.1526	2.6111	2.3947	3.6950
H11	2.7684	3.1015	3.7798	2.5879	2.1842	2.5355	2.5254	3.0850	1.0985	1.7734		2.1558	3.2713	3.5892	4.1913
C12	1.5257	2.1747	2.1694	2.1649	2.5545	2.8210	3.5029	2.7903	1.5268	2.1526	2.1558		1.3446	2.1273	2.1293
C13	2.5132	3.2257	2.6291	3.2322	3.5068	3.9488	4.4209	3.3892	2.5112	2.6111	3.2713	1.3446		1.0874	1.0872
H14	3.5144	4.1594	3.7154	4.1572	3.7235	4.4107	4.4725	3.4778	2.7464	2.3947	3.5892	2.1273	1.0874		1.8489
H15	2.7544	3.5015	2.4107	3.5239	4.4221	4.7060	5.4022	4.2362	3.5145	3.6950	4.1913	2.1293	1.0872	1.8489

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C12	C9	116.040	C1	C12	C13	122.102
H2	C1	H3	108.396	H2	C1	H4	107.919
H2	C1	C12	111.008	H3	C1	H4	108.614
H3	C1	C12	110.642	H4	C1	C12	110.175
C5	C9	H10	109.172	C5	C9	H11	109.522
C5	C9	C12	111.899	H6	C5	H7	108.386
H6	C5	H8	108.574	H6	C5	C9	110.825
H7	C5	H8	108.789	H7	C5	C9	110.612
H8	C5	C9	109.600	C9	C12	C13	121.852
H10	C9	H11	107.714	H10	C9	C12	109.120
H11	C9	C12	109.319	C12	C13	H14	121.657
C12	C13	H15	121.873	H14	C13	H15	116.469

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

using model chemistry: MP2/3-21G

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	ESP
1	C	-0.568	-0.326
2	H	0.194	0.106
3	H	0.190	0.100
4	H	0.191	0.098
5	C	-0.523	-0.138
6	H	0.181	0.040
7	H	0.182	0.038
8	H	0.188	0.050
9	C	-0.418	-0.014
10	H	0.191	0.026
11	H	0.189	0.032
12	C	0.022	0.141
13	C	-0.362	-0.546
14	H	0.171	0.192
15	H	0.171	0.199

	x	y	z	Total
	-0.235	0.273	0.029	0.361
CHELPG
AIM
ESP	-0.192	0.277	0.018	0.338

	x	y	z
x	7.989	-0.657	-0.716
y	-0.657	7.875	0.337
z	-0.716	0.337	5.396

<r²>	144.807
(<r²>)^1/2	12.034

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

using model chemistry: MP2/3-21G

States and conformations

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