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	hartrees
Energy at 0K	-196.611745
Energy at 298.15K	-196.621898
HF Energy	-196.611745
Nuclear repulsion energy	175.705964

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3211	3100	19.17
2	A	3133	3024	10.11
3	A	3108	3000	22.17
4	A	3102	2995	43.50
5	A	3096	2988	37.00
6	A	3065	2959	20.20
7	A	3061	2955	14.93
8	A	3034	2929	28.43
9	A	3020	2915	27.81
10	A	3006	2902	26.44
11	A	1710	1651	21.91
12	A	1513	1461	3.41
13	A	1506	1454	7.17
14	A	1501	1449	13.37
15	A	1492	1441	11.32
16	A	1480	1429	3.61
17	A	1452	1401	0.18
18	A	1417	1368	4.63
19	A	1413	1365	4.65
20	A	1355	1308	1.77
21	A	1314	1268	1.13
22	A	1275	1231	1.68
23	A	1122	1083	0.80
24	A	1098	1060	4.53
25	A	1053	1017	0.77
26	A	1018	983	0.27
27	A	1006	971	0.99
28	A	939	907	1.75
29	A	928	896	46.25
30	A	804	777	1.63
31	A	774	748	0.92
32	A	726	700	0.16
33	A	540	522	8.28
34	A	437	422	1.77
35	A	402	388	0.86
36	A	264	255	0.30
37	A	222	214	0.58
38	A	180	173	0.27
39	A	70	68	0.06

Atom	x (Å)	y (Å)	z (Å)
C1	0.986	1.332	0.026
H2	0.368	1.885	-0.687
H3	2.028	1.447	-0.274
H4	0.854	1.817	0.999
C5	-1.916	0.083	-0.390
H6	-1.896	1.169	-0.501
H7	-2.904	-0.188	-0.012
H8	-1.801	-0.358	-1.383
C9	-0.818	-0.417	0.561
H10	-0.927	-1.495	0.700
H11	-0.970	0.042	1.546
C12	0.588	-0.119	0.094
C13	1.435	-1.095	-0.233
H14	1.148	-2.139	-0.176
H15	2.445	-0.885	-0.566

	C1	H2	H3	H4	C5	H6	H7	H8	C9	H10	H11	C12	C13	H14	H15
C1		1.0937	1.0903	1.0951	3.1865	2.9341	4.1767	3.5509	2.5690	3.4792	2.7925	1.5062	2.4810	3.4798	2.7187
H2	1.0937		1.7659	1.7557	2.9240	2.3814	3.9318	3.1967	2.8743	3.8759	3.1889	2.1621	3.1970	4.1297	3.4638
H3	1.0903	1.7659		1.7704	4.1747	3.9402	5.2026	4.3762	3.5031	4.2819	3.7776	2.1590	2.6099	3.6929	2.3864
H4	1.0951	1.7557	1.7704		3.5508	3.1986	4.3781	4.1777	2.8247	3.7725	2.6032	2.1538	3.2143	4.1366	3.5041
C5	3.1865	2.9240	4.1747	3.5508		1.0916	1.0921	1.0922	1.5362	2.1581	2.1549	2.5586	3.5557	3.7910	4.4707
H6	2.9341	2.3814	3.9402	3.1986	1.0916		1.7603	1.7656	2.1919	3.0787	2.5131	2.8608	4.0363	4.5068	4.8026
H7	4.1767	3.9318	5.2026	4.3781	1.0921	1.7603		1.7669	2.1750	2.4743	2.4942	3.4945	4.4382	4.4998	5.4225
H8	3.5509	3.1967	4.3762	4.1777	1.0922	1.7656	1.7669		2.1791	2.5289	3.0703	2.8192	3.5130	3.6508	4.3563
C9	2.5690	2.8743	3.5031	2.8247	1.5362	2.1919	2.1750	2.1791		1.0925	1.0968	1.5116	2.4835	2.7155	3.4841
H10	3.4792	3.8759	4.2819	3.7725	2.1581	3.0787	2.4743	2.5289	1.0925		1.7550	2.1343	2.5710	2.3426	3.6533
H11	2.7925	3.1889	3.7776	2.6032	2.1549	2.5131	2.4942	3.0703	1.0968	1.7550		2.1356	3.1999	3.4936	4.1207
C12	1.5062	2.1621	2.1590	2.1538	2.5586	2.8608	3.4945	2.8192	1.5116	2.1343	2.1356		1.3324	2.1126	2.1141
C13	2.4810	3.1970	2.6099	3.2143	3.5557	4.0363	4.4382	3.5130	2.4835	2.5710	3.1999	1.3324		1.0840	1.0840
H14	3.4798	4.1297	3.6929	4.1366	3.7910	4.5068	4.4998	3.6508	2.7155	2.3426	3.4936	2.1126	1.0840		1.8455
H15	2.7187	3.4638	2.3864	3.5041	4.4707	4.8026	5.4225	4.3563	3.4841	3.6533	4.1207	2.1141	1.0840	1.8455

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C12	C9	116.701	C1	C12	C13	121.746
H2	C1	H3	107.911	H2	C1	H4	106.672
H2	C1	C12	111.545	H3	C1	H4	108.213
H3	C1	C12	111.503	H4	C1	C12	110.797
C5	C9	H10	109.200	C5	C9	H11	108.709
C5	C9	C12	114.173	H6	C5	H7	107.435
H6	C5	H8	107.898	H6	C5	C9	111.932
H7	C5	H8	107.982	H7	C5	C9	110.556
H8	C5	C9	110.875	C9	C12	C13	121.552
H10	C9	H11	106.572	H10	C9	C12	109.030
H11	C9	C12	108.883	C12	C13	H14	121.577
C12	C13	H15	121.731	H14	C13	H15	116.692

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

using model chemistry: B3LYP/TZVP

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	-0.392
2	H	0.133
3	H	0.124
4	H	0.120
5	C	-0.368
6	H	0.117
7	H	0.123
8	H	0.115
9	C	-0.182
10	H	0.114
11	H	0.114
12	C	0.022
13	C	-0.238
14	H	0.100
15	H	0.098

	x	y	z	Total
	-0.378	0.383	0.125	0.553
CHELPG
AIM
ESP

	x	y	z
x	10.218	-0.965	-0.536
y	-0.965	9.720	0.354
z	-0.536	0.354	7.375

<r²>	144.028
(<r²>)^1/2	12.001

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

using model chemistry: B3LYP/TZVP

States and conformations

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