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	hartrees
Energy at 0K	-196.301206
Energy at 298.15K	-196.311192
Nuclear repulsion energy	174.957183

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3145	3116	21.07
2	A	3062	3034	11.46
3	A	3051	3023	21.93
4	A	3046	3018	36.34
5	A	3043	3015	36.50
6	A	3004	2977	22.42
7	A	2999	2972	14.24
8	A	2972	2944	29.49
9	A	2954	2927	26.89
10	A	2942	2915	28.80
11	A	1665	1650	18.14
12	A	1460	1447	3.86
13	A	1452	1439	6.85
14	A	1445	1432	13.74
15	A	1436	1423	12.99
16	A	1423	1410	3.01
17	A	1393	1380	0.40
18	A	1357	1345	5.80
19	A	1355	1343	5.54
20	A	1301	1289	0.87
21	A	1267	1256	1.33
22	A	1231	1220	1.37
23	A	1077	1067	0.81
24	A	1058	1048	5.34
25	A	1016	1007	0.53
26	A	997	988	1.16
27	A	965	956	1.25
28	A	919	911	1.94
29	A	873	866	41.08
30	A	778	771	1.93
31	A	759	753	1.38
32	A	701	694	0.19
33	A	521	516	8.03
34	A	419	415	1.68
35	A	388	384	0.85
36	A	256	253	0.25
37	A	216	214	0.57
38	A	180	178	0.32
39	A	68	68	0.07

Atom	x (Å)	y (Å)	z (Å)
C1	0.992	1.334	0.023
H2	0.358	1.895	-0.684
H3	2.037	1.447	-0.297
H4	0.876	1.826	1.005
C5	-1.917	0.080	-0.396
H6	-1.890	1.173	-0.530
H7	-2.917	-0.179	-0.015
H8	-1.800	-0.384	-1.387
C9	-0.822	-0.408	0.569
H10	-0.931	-1.494	0.726
H11	-0.977	0.069	1.555
C12	0.588	-0.117	0.098
C13	1.435	-1.105	-0.233
H14	1.137	-2.155	-0.170
H15	2.452	-0.897	-0.574

	C1	H2	H3	H4	C5	H6	H7	H8	C9	H10	H11	C12	C13	H14	H15
C1		1.1032	1.0992	1.1043	3.1952	2.9384	4.1916	3.5684	2.5734	3.4909	2.7965	1.5081	2.4920	3.4975	2.7327
H2	1.1032		1.7807	1.7681	2.9251	2.3663	3.9344	3.2167	2.8759	3.8907	3.1828	2.1715	3.2196	4.1570	3.4924
H3	1.0992	1.7807		1.7853	4.1852	3.9434	5.2219	4.3892	3.5165	4.3016	3.7962	2.1687	2.6230	3.7151	2.3966
H4	1.1043	1.7681	1.7853		3.5792	3.2296	4.4098	4.2149	2.8397	3.7899	2.6115	2.1635	3.2303	4.1591	3.5204
C5	3.1952	2.9251	4.1852	3.5792		1.1009	1.1008	1.1010	1.5394	2.1698	2.1655	2.5607	3.5589	3.7917	4.4809
H6	2.9384	2.3663	3.9434	3.2296	1.1009		1.7743	1.7792	2.2016	3.0991	2.5289	2.8625	4.0405	4.5127	4.8101
H7	4.1916	3.9344	5.2219	4.4098	1.1008	1.7743		1.7813	2.1870	2.4939	2.5079	3.5069	4.4540	4.5124	5.4455
H8	3.5684	3.2167	4.3892	4.2149	1.1010	1.7792	1.7813		2.1874	2.5401	3.0886	2.8246	3.5093	3.6396	4.3595
C9	2.5734	2.8759	3.5165	2.8397	1.5394	2.2016	2.1870	2.1874		1.1021	1.1065	1.5142	2.4937	2.7265	3.5019
H10	3.4909	3.8907	4.3016	3.7899	2.1698	3.0991	2.4939	2.5401	1.1021		1.7701	2.1437	2.5817	2.3486	3.6730
H11	2.7965	3.1828	3.7962	2.6115	2.1655	2.5289	2.5079	3.0886	1.1065	1.7701		2.1458	3.2232	3.5202	4.1502
C12	1.5081	2.1715	2.1687	2.1635	2.5607	2.8625	3.5069	2.8246	1.5142	2.1437	2.1458		1.3427	2.1279	2.1300
C13	2.4920	3.2196	2.6230	3.2303	3.5589	4.0405	4.4540	3.5093	2.4937	2.5817	3.2232	1.3427		1.0933	1.0933
H14	3.4975	4.1570	3.7151	4.1591	3.7917	4.5127	4.5124	3.6396	2.7265	2.3486	3.5202	2.1279	1.0933		1.8643
H15	2.7327	3.4924	2.3966	3.5204	4.4809	4.8101	5.4455	4.3595	3.5019	3.6730	4.1502	2.1300	1.0933	1.8643

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C12	C9	116.745	C1	C12	C13	121.784
H2	C1	H3	107.903	H2	C1	H4	106.435
H2	C1	C12	111.580	H3	C1	H4	108.228
H3	C1	C12	111.607	H4	C1	C12	110.871
C5	C9	H10	109.337	C5	C9	H11	108.755
C5	C9	C12	113.982	H6	C5	H7	107.395
H6	C5	H8	107.814	H6	C5	C9	111.920
H7	C5	H8	107.998	H7	C5	C9	110.764
H8	C5	C9	110.782	C9	C12	C13	121.471
H10	C9	H11	106.540	H10	C9	C12	109.029
H11	C9	C12	108.934	C12	C13	H14	121.401
C12	C13	H15	121.611	H14	C13	H15	116.988

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

using model chemistry: PBEPBE/6-311G**

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	-0.295
2	H	0.130
3	H	0.120
4	H	0.126
5	C	-0.334
6	H	0.120
7	H	0.122
8	H	0.125
9	C	-0.250
10	H	0.122
11	H	0.128
12	C	-0.126
13	C	-0.186
14	H	0.098
15	H	0.097

	x	y	z	Total
	-0.353	0.384	0.121	0.535
CHELPG
AIM
ESP

	x	y	z
x	10.157	-0.836	-0.636
y	-0.836	9.624	0.332
z	-0.636	0.332	6.962

<r²>	144.652
(<r²>)^1/2	12.027

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

using model chemistry: PBEPBE/6-311G**

States and conformations

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