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	hartrees
Energy at 0K	-196.616165
Energy at 298.15K	-196.626315
HF Energy	-196.616165
Nuclear repulsion energy	175.869800

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3205	3098	19.83
2	A	3128	3024	10.64
3	A	3103	3000	21.83
4	A	3096	2993	42.58
5	A	3090	2987	36.78
6	A	3058	2956	18.61
7	A	3055	2953	16.69
8	A	3030	2929	27.89
9	A	3015	2915	28.11
10	A	3001	2901	25.71
11	A	1711	1654	20.97
12	A	1511	1461	3.45
13	A	1503	1453	5.03
14	A	1498	1448	12.43
15	A	1489	1439	9.09
16	A	1478	1428	2.76
17	A	1451	1402	0.14
18	A	1414	1367	4.23
19	A	1411	1364	3.19
20	A	1353	1308	1.74
21	A	1312	1269	1.18
22	A	1274	1232	1.50
23	A	1120	1083	0.63
24	A	1098	1061	4.29
25	A	1052	1017	0.84
26	A	1018	984	0.21
27	A	1005	971	1.09
28	A	939	908	1.89
29	A	928	897	41.65
30	A	803	776	1.60
31	A	774	748	1.00
32	A	724	700	0.15
33	A	541	523	6.76
34	A	436	421	1.73
35	A	398	385	0.77
36	A	258	249	0.37
37	A	222	214	0.29
38	A	183	177	0.18
39	A	69	67	0.06

Atom	x (Å)	y (Å)	z (Å)
C1	0.999	1.325	0.022
H2	0.378	1.884	-0.682
H3	2.037	1.429	-0.290
H4	0.883	1.811	0.995
C5	-1.914	0.085	-0.393
H6	-1.882	1.166	-0.531
H7	-2.903	-0.167	-0.008
H8	-1.805	-0.381	-1.374
C9	-0.820	-0.402	0.568
H10	-0.934	-1.475	0.727
H11	-0.970	0.077	1.542
C12	0.587	-0.120	0.095
C13	1.421	-1.104	-0.231
H14	1.124	-2.143	-0.169
H15	2.430	-0.905	-0.570

	C1	H2	H3	H4	C5	H6	H7	H8	C9	H10	H11	C12	C13	H14	H15
C1		1.0926	1.0890	1.0939	3.1928	2.9378	4.1772	3.5667	2.5667	3.4751	2.7828	1.5049	2.4785	3.4758	2.7152
H2	1.0926		1.7643	1.7528	2.9279	2.3760	3.9273	3.2213	2.8675	3.8721	3.1667	2.1602	3.1971	4.1280	3.4648
H3	1.0890	1.7643		1.7689	4.1744	3.9351	5.1988	4.3832	3.5000	4.2777	3.7718	2.1572	2.6076	3.6892	2.3836
H4	1.0939	1.7528	1.7689		3.5680	3.2237	4.3877	4.2005	2.8251	3.7653	2.5965	2.1515	3.2082	4.1294	3.4958
C5	3.1928	2.9279	4.1744	3.5680		1.0904	1.0908	1.0909	1.5353	2.1562	2.1528	2.5560	3.5445	3.7741	4.4590
H6	2.9378	2.3760	3.9351	3.2237	1.0904		1.7587	1.7634	2.1897	3.0755	2.5132	2.8534	4.0194	4.4854	4.7840
H7	4.1772	3.9273	5.1988	4.3877	1.0908	1.7587		1.7650	2.1736	2.4752	2.4892	3.4911	4.4300	4.4884	5.4130
H8	3.5667	3.2213	4.3832	4.2005	1.0909	1.7634	1.7650		2.1770	2.5233	3.0668	2.8189	3.4982	3.6242	4.3427
C9	2.5667	2.8675	3.5000	2.8251	1.5353	2.1897	2.1736	2.1770		1.0912	1.0955	1.5101	2.4808	2.7118	3.4800
H10	3.4751	3.8721	4.2777	3.7653	2.1562	3.0755	2.4752	2.5233	1.0912		1.7533	2.1325	2.5700	2.3421	3.6505
H11	2.7828	3.1667	3.7718	2.5965	2.1528	2.5132	2.4892	3.0668	1.0955	1.7533		2.1339	3.2024	3.4985	4.1211
C12	1.5049	2.1602	2.1572	2.1515	2.5560	2.8534	3.4911	2.8189	1.5101	2.1325	2.1339		1.3308	2.1096	2.1112
C13	2.4785	3.1971	2.6076	3.2082	3.5445	4.0194	4.4300	3.4982	2.4808	2.5700	3.2024	1.3308		1.0827	1.0826
H14	3.4758	4.1280	3.6892	4.1294	3.7741	4.4854	4.4884	3.6242	2.7118	2.3421	3.4985	2.1096	1.0827		1.8439
H15	2.7152	3.4648	2.3836	3.4958	4.4590	4.7840	5.4130	4.3427	3.4800	3.6505	4.1211	2.1112	1.0826	1.8439

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C12	C9	116.709	C1	C12	C13	121.743
H2	C1	H3	107.952	H2	C1	H4	106.580
H2	C1	C12	111.550	H3	C1	H4	108.262
H3	C1	C12	111.529	H4	C1	C12	110.768
C5	C9	H10	109.183	C5	C9	H11	108.678
C5	C9	C12	114.125	H6	C5	H7	107.478
H6	C5	H8	107.881	H6	C5	C9	111.897
H7	C5	H8	107.998	H7	C5	C9	110.582
H8	C5	C9	110.844	C9	C12	C13	121.547
H10	C9	H11	106.606	H10	C9	C12	109.063
H11	C9	C12	108.918	C12	C13	H14	121.541
C12	C13	H15	121.699	H14	C13	H15	116.760

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

using model chemistry: B3LYPultrafine/cc-pVTZ

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	-0.288
2	H	0.095
3	H	0.095
4	H	0.092
5	C	-0.295
6	H	0.092
7	H	0.097
8	H	0.097
9	C	-0.149
10	H	0.086
11	H	0.085
12	C	0.114
13	C	-0.324
14	H	0.101
15	H	0.101

	x	y	z	Total
	-0.362	0.379	0.134	0.541
CHELPG
AIM
ESP

	x	y	z
x	10.288	-0.825	-0.537
y	-0.825	9.754	0.308
z	-0.537	0.308	7.308

<r²>	143.713
(<r²>)^1/2	11.988

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

using model chemistry: B3LYPultrafine/cc-pVTZ

States and conformations

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