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	hartrees
Energy at 0K	-196.366758
Energy at 298.15K	-196.376823
Nuclear repulsion energy	173.477030

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3157	3133	32.46
2	A	3077	3054	13.37
3	A	3048	3025	40.55
4	A	3045	3022	32.69
5	A	3040	3017	54.72
6	A	2998	2975	34.27
7	A	2992	2969	18.44
8	A	2970	2947	33.40
9	A	2950	2928	34.49
10	A	2934	2911	36.25
11	A	1668	1656	12.52
12	A	1516	1505	3.38
13	A	1510	1499	4.95
14	A	1504	1493	10.10
15	A	1496	1485	9.03
16	A	1486	1475	2.99
17	A	1453	1441	0.08
18	A	1422	1411	3.47
19	A	1413	1402	2.69
20	A	1341	1330	3.36
21	A	1296	1287	1.58
22	A	1261	1251	2.38
23	A	1116	1108	0.32
24	A	1092	1083	6.83
25	A	1052	1044	3.38
26	A	1008	1000	1.05
27	A	994	986	0.52
28	A	922	915	1.58
29	A	913	906	46.20
30	A	804	798	2.17
31	A	755	749	1.20
32	A	710	704	0.04
33	A	530	526	5.80
34	A	428	425	1.47
35	A	394	391	0.65
36	A	257	255	0.27
37	A	223	221	0.33
38	A	181	180	0.34
39	A	72	72	0.05

Atom	x (Å)	y (Å)	z (Å)
C1	1.019	1.341	0.018
H2	0.387	1.912	-0.686
H3	2.065	1.440	-0.312
H4	0.921	1.838	1.003
C5	-1.939	0.084	-0.403
H6	-1.895	1.174	-0.568
H7	-2.942	-0.154	-0.007
H8	-1.831	-0.413	-1.383
C9	-0.833	-0.396	0.583
H10	-0.955	-1.479	0.760
H11	-0.991	0.106	1.559
C12	0.594	-0.121	0.100
C13	1.435	-1.127	-0.233
H14	1.133	-2.177	-0.167
H15	2.454	-0.937	-0.581

	C1	H2	H3	H4	C5	H6	H7	H8	C9	H10	H11	C12	C13	H14	H15
C1		1.1059	1.1018	1.1072	3.2420	2.9773	4.2334	3.6280	2.6005	3.5211	2.8178	1.5244	2.5152	3.5242	2.7588
H2	1.1059		1.7837	1.7733	2.9722	2.4012	3.9759	3.2877	2.9023	3.9233	3.1943	2.1895	3.2467	4.1887	3.5225
H3	1.1018	1.7837		1.7877	4.2294	3.9779	5.2636	4.4458	3.5455	4.3352	3.8241	2.1846	2.6448	3.7380	2.4244
H4	1.1072	1.7733	1.7877		3.6383	3.2925	4.4617	4.2816	2.8706	3.8183	2.6391	2.1815	3.2529	4.1868	3.5445
C5	3.2420	2.9722	4.2294	3.6383		1.1034	1.1037	1.1035	1.5579	2.1831	2.1802	2.5907	3.5889	3.8216	4.5145
H6	2.9773	2.4012	3.9779	3.2925	1.1034		1.7814	1.7846	2.2174	3.1125	2.5467	2.8839	4.0614	4.5339	4.8350
H7	4.2334	3.9759	5.2636	4.4617	1.1037	1.7814		1.7872	2.2030	2.5083	2.5151	3.5371	4.4889	4.5518	5.4828
H8	3.6280	3.2877	4.4458	4.2816	1.1035	1.7846	1.7872		2.2049	2.5492	3.1037	2.8572	3.5355	3.6574	4.3915
C9	2.6005	2.9023	3.5455	2.8706	1.5579	2.2174	2.2030	2.2049		1.1048	1.1091	1.5309	2.5183	2.7565	3.5291
H10	3.5211	3.9233	4.3352	3.8183	2.1831	3.1125	2.5083	2.5492	1.1048		1.7754	2.1631	2.6115	2.3884	3.7034
H11	2.8178	3.1943	3.8241	2.6391	2.1802	2.5467	2.5151	3.1037	1.1091	1.7754		2.1663	3.2582	3.5638	4.1882
C12	1.5244	2.1895	2.1846	2.1815	2.5907	2.8839	3.5371	2.8572	1.5309	2.1631	2.1663		1.3529	2.1421	2.1431
C13	2.5152	3.2467	2.6448	3.2529	3.5889	4.0614	4.4889	3.5355	2.5183	2.6115	3.2582	1.3529		1.0942	1.0941
H14	3.5242	4.1887	3.7380	4.1868	3.8216	4.5339	4.5518	3.6574	2.7565	2.3884	3.5638	2.1421	1.0942		1.8583
H15	2.7588	3.5225	2.4244	3.5445	4.5145	4.8350	5.4828	4.3915	3.5291	3.7034	4.1882	2.1431	1.0941	1.8583

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C12	C9	116.671	C1	C12	C13	121.773
H2	C1	H3	107.796	H2	C1	H4	106.506
H2	C1	C12	111.705	H3	C1	H4	108.057
H3	C1	C12	111.559	H4	C1	C12	110.993
C5	C9	H10	108.961	C5	C9	H11	108.488
C5	C9	C12	114.012	H6	C5	H7	107.628
H6	C5	H8	107.932	H6	C5	C9	111.716
H7	C5	H8	108.134	H7	C5	C9	110.564
H8	C5	C9	110.727	C9	C12	C13	121.555
H10	C9	H11	106.634	H10	C9	C12	109.244
H11	C9	C12	109.241	C12	C13	H14	121.814
C12	C13	H15	121.928	H14	C13	H15	116.258

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

using model chemistry: BLYP/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	-0.439
2	H	0.133
3	H	0.126
4	H	0.127
5	C	-0.364
6	H	0.121
7	H	0.118
8	H	0.126
9	C	-0.272
10	H	0.114
11	H	0.113
12	C	0.216
13	C	-0.313
14	H	0.097
15	H	0.096

	x	y	z	Total
	-0.360	0.405	0.101	0.551
CHELPG
AIM
ESP

	x	y	z
x	0.000	0.000	0.000
y	0.000	0.000	0.000
z	0.000	0.000	0.000

<r²>	146.834
(<r²>)^1/2	12.118

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

using model chemistry: BLYP/6-31G

States and conformations

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