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	hartrees
Energy at 0K	-196.553874
Energy at 298.15K	-196.564007
Nuclear repulsion energy	175.271679

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3230	3103	21.67
2	A	3148	3025	10.45
3	A	3126	3003	23.92
4	A	3122	2999	37.12
5	A	3117	2995	40.72
6	A	3080	2960	26.54
7	A	3075	2954	15.69
8	A	3047	2927	27.83
9	A	3030	2911	26.71
10	A	3016	2898	29.21
11	A	1733	1665	13.69
12	A	1524	1464	2.24
13	A	1517	1457	4.26
14	A	1510	1451	9.24
15	A	1500	1442	7.65
16	A	1489	1431	2.42
17	A	1460	1403	0.16
18	A	1425	1369	2.67
19	A	1421	1365	2.15
20	A	1361	1308	2.79
21	A	1316	1265	2.12
22	A	1279	1228	2.16
23	A	1123	1079	0.53
24	A	1101	1058	5.44
25	A	1057	1015	1.32
26	A	1023	983	0.38
27	A	1007	967	1.10
28	A	945	908	1.30
29	A	924	888	38.16
30	A	803	772	1.64
31	A	777	747	1.20
32	A	727	698	0.08
33	A	537	516	4.96
34	A	434	417	1.79
35	A	399	383	0.57
36	A	263	253	0.13
37	A	226	217	0.33
38	A	186	179	0.27
39	A	70	68	0.06

Atom	x (Å)	y (Å)	z (Å)
C1	1.000	1.330	0.023
H2	0.376	1.892	-0.683
H3	2.041	1.437	-0.291
H4	0.885	1.820	0.999
C5	-1.918	0.085	-0.395
H6	-1.886	1.171	-0.530
H7	-2.912	-0.168	-0.011
H8	-1.807	-0.378	-1.380
C9	-0.823	-0.406	0.568
H10	-0.939	-1.485	0.724
H11	-0.978	0.069	1.548
C12	0.588	-0.120	0.097
C13	1.428	-1.106	-0.232
H14	1.133	-2.150	-0.172
H15	2.441	-0.906	-0.571

	C1	H2	H3	H4	C5	H6	H7	H8	C9	H10	H11	C12	C13	H14	H15
C1		1.0967	1.0931	1.0979	3.1998	2.9421	4.1889	3.5730	2.5757	3.4886	2.7974	1.5094	2.4871	3.4887	2.7257
H2	1.0967		1.7698	1.7582	2.9350	2.3792	3.9382	3.2265	2.8788	3.8874	3.1834	2.1685	3.2098	4.1447	3.4791
H3	1.0931	1.7698		1.7740	4.1852	3.9431	5.2143	4.3923	3.5129	4.2949	3.7904	2.1652	2.6171	3.7028	2.3933
H4	1.0979	1.7582	1.7740		3.5791	3.2302	4.4035	4.2120	2.8390	3.7846	2.6149	2.1604	3.2212	4.1475	3.5097
C5	3.1998	2.9350	4.1852	3.5791		1.0945	1.0947	1.0948	1.5389	2.1621	2.1586	2.5621	3.5561	3.7894	4.4739
H6	2.9421	2.3792	3.9431	3.2302	1.0945		1.7650	1.7690	2.1959	3.0854	2.5211	2.8596	4.0320	4.5025	4.7993
H7	4.1889	3.9382	5.2143	4.4035	1.0947	1.7650		1.7715	2.1808	2.4833	2.4960	3.5018	4.4460	4.5076	5.4324
H8	3.5730	3.2265	4.3923	4.2120	1.0948	1.7690	1.7715		2.1832	2.5309	3.0763	2.8256	3.5095	3.6394	4.3565
C9	2.5757	2.8788	3.5129	2.8390	1.5389	2.1959	2.1808	2.1832		1.0956	1.0999	1.5149	2.4900	2.7237	3.4932
H10	3.4886	3.8874	4.2949	3.7846	2.1621	3.0854	2.4833	2.5309	1.0956		1.7592	2.1413	2.5806	2.3537	3.6654
H11	2.7974	3.1834	3.7904	2.6149	2.1586	2.5211	2.4960	3.0763	1.0999	1.7592		2.1432	3.2156	3.5133	4.1388
C12	1.5094	2.1685	2.1652	2.1604	2.5621	2.8596	3.5018	2.8256	1.5149	2.1413	2.1432		1.3369	2.1196	2.1207
C13	2.4871	3.2098	2.6171	3.2212	3.5561	4.0320	4.4460	3.5095	2.4900	2.5806	3.2156	1.3369		1.0867	1.0867
H14	3.4887	4.1447	3.7028	4.1475	3.7894	4.5025	4.5076	3.6394	2.7237	2.3537	3.5133	2.1196	1.0867		1.8491
H15	2.7257	3.4791	2.3933	3.5097	4.4739	4.7993	5.4324	4.3565	3.4932	3.6654	4.1388	2.1207	1.0867	1.8491

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C12	C9	116.788	C1	C12	C13	121.691
H2	C1	H3	107.841	H2	C1	H4	106.478
H2	C1	C12	111.650	H3	C1	H4	108.128
H3	C1	C12	111.599	H4	C1	C12	110.922
C5	C9	H10	109.147	C5	C9	H11	108.628
C5	C9	C12	114.060	H6	C5	H7	107.452
H6	C5	H8	107.804	H6	C5	C9	111.883
H7	C5	H8	108.015	H7	C5	C9	110.668
H8	C5	C9	110.855	C9	C12	C13	121.520
H10	C9	H11	106.500	H10	C9	C12	109.166
H11	C9	C12	109.067	C12	C13	H14	121.643
C12	C13	H15	121.760	H14	C13	H15	116.597

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

using model chemistry: B3LYP/6-31G**

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	-0.366
2	H	0.115
3	H	0.108
4	H	0.111
5	C	-0.317
6	H	0.105
7	H	0.103
8	H	0.111
9	C	-0.225
10	H	0.097
11	H	0.098
12	C	0.176
13	C	-0.287
14	H	0.085
15	H	0.085

	x	y	z	Total
	-0.342	0.369	0.100	0.513
CHELPG
AIM
ESP

	x	y	z
x	9.124	-0.836	-0.718
y	-0.836	8.750	0.362
z	-0.718	0.362	6.051

<r²>	144.055
(<r²>)^1/2	12.002

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

using model chemistry: B3LYP/6-31G**

States and conformations

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