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	hartrees
Energy at 0K	-196.486765
Energy at 298.15K	-196.496902
Nuclear repulsion energy	175.865926

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3264	3095	19.87
2	A	3182	3018	10.29
3	A	3163	3000	23.07
4	A	3160	2997	30.35
5	A	3156	2993	38.69
6	A	3120	2959	23.17
7	A	3112	2951	14.04
8	A	3079	2920	27.73
9	A	3062	2904	25.91
10	A	3052	2894	28.70
11	A	1758	1668	14.86
12	A	1542	1463	2.80
13	A	1536	1456	6.60
14	A	1529	1450	11.67
15	A	1519	1441	11.19
16	A	1507	1429	3.08
17	A	1476	1400	0.46
18	A	1442	1367	5.00
19	A	1437	1363	3.66
20	A	1379	1308	1.51
21	A	1333	1264	2.02
22	A	1294	1227	1.64
23	A	1134	1076	0.38
24	A	1113	1056	6.38
25	A	1070	1014	1.25
26	A	1044	990	1.32
27	A	1014	962	1.17
28	A	963	913	1.22
29	A	929	881	46.50
30	A	811	769	1.91
31	A	791	750	1.54
32	A	732	694	0.15
33	A	539	511	6.07
34	A	433	411	1.62
35	A	399	378	0.69
36	A	265	252	0.13
37	A	225	213	0.48
38	A	184	175	0.29
39	A	67	64	0.06

Atom	x (Å)	y (Å)	z (Å)
C1	0.982	1.330	0.026
H2	0.362	1.884	-0.688
H3	2.025	1.446	-0.276
H4	0.852	1.820	0.999
C5	-1.906	0.082	-0.392
H6	-1.882	1.170	-0.507
H7	-2.900	-0.186	-0.020
H8	-1.785	-0.362	-1.385
C9	-0.819	-0.416	0.563
H10	-0.929	-1.496	0.704
H11	-0.976	0.045	1.548
C12	0.585	-0.118	0.097
C13	1.433	-1.094	-0.232
H14	1.146	-2.141	-0.176
H15	2.444	-0.884	-0.569

	C1	H2	H3	H4	C5	H6	H7	H8	C9	H10	H11	C12	C13	H14	H15
C1		1.0960	1.0926	1.0971	3.1741	2.9172	4.1674	3.5373	2.5646	3.4782	2.7924	1.5029	2.4794	3.4804	2.7194
H2	1.0960		1.7686	1.7581	2.9123	2.3619	3.9207	3.1850	2.8721	3.8770	3.1891	2.1618	3.1977	4.1324	3.4659
H3	1.0926	1.7686		1.7729	4.1634	3.9237	5.1949	4.3615	3.5013	4.2833	3.7808	2.1589	2.6092	3.6945	2.3860
H4	1.0971	1.7581	1.7729		3.5446	3.1879	4.3745	4.1713	2.8246	3.7754	2.6055	2.1540	3.2165	4.1415	3.5080
C5	3.1741	2.9123	4.1634	3.5446		1.0940	1.0941	1.0941	1.5310	2.1558	2.1524	2.5465	3.5438	3.7822	4.4597
H6	2.9172	2.3619	3.9237	3.1879	1.0940		1.7639	1.7685	2.1883	3.0789	2.5114	2.8470	4.0232	4.4985	4.7889
H7	4.1674	3.9207	5.1949	4.3745	1.0941	1.7639		1.7706	2.1735	2.4746	2.4931	3.4870	4.4315	4.4959	5.4168
H8	3.5373	3.1850	4.3615	4.1713	1.0941	1.7685	1.7706		2.1751	2.5262	3.0698	2.8057	3.4957	3.6357	4.3387
C9	2.5646	2.8721	3.5013	2.8246	1.5310	2.1883	2.1735	2.1751		1.0951	1.0990	1.5083	2.4819	2.7166	3.4846
H10	3.4782	3.8770	4.2833	3.7754	2.1558	3.0789	2.4746	2.5262	1.0951		1.7581	2.1354	2.5719	2.3442	3.6565
H11	2.7924	3.1891	3.7808	2.6055	2.1524	2.5114	2.4931	3.0698	1.0990	1.7581		2.1370	3.2042	3.5001	4.1276
C12	1.5029	2.1618	2.1589	2.1540	2.5465	2.8470	3.4870	2.8057	1.5083	2.1354	2.1370		1.3345	2.1170	2.1182
C13	2.4794	3.1977	2.6092	3.2165	3.5438	4.0232	4.4315	3.4957	2.4819	2.5719	3.2042	1.3345		1.0863	1.0863
H14	3.4804	4.1324	3.6945	4.1415	3.7822	4.4985	4.4959	3.6357	2.7166	2.3442	3.5001	2.1170	1.0863		1.8484
H15	2.7194	3.4659	2.3860	3.5080	4.4597	4.7889	5.4168	4.3387	3.4846	3.6565	4.1276	2.1182	1.0863	1.8484

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C12	C9	116.789	C1	C12	C13	121.703
H2	C1	H3	107.817	H2	C1	H4	106.572
H2	C1	C12	111.607	H3	C1	H4	108.123
H3	C1	C12	111.584	H4	C1	C12	110.921
C5	C9	H10	109.233	C5	C9	H11	108.741
C5	C9	C12	113.829	H6	C5	H7	107.441
H6	C5	H8	107.847	H6	C5	C9	111.871
H7	C5	H8	108.028	H7	C5	C9	110.683
H8	C5	C9	110.811	C9	C12	C13	121.508
H10	C9	H11	106.505	H10	C9	C12	109.189
H11	C9	C12	109.085	C12	C13	H14	121.636
C12	C13	H15	121.764	H14	C13	H15	116.600

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

using model chemistry: mPW1PW91/6-31G*

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	-0.580
2	H	0.182
3	H	0.180
4	H	0.177
5	C	-0.520
6	H	0.171
7	H	0.173
8	H	0.178
9	C	-0.379
10	H	0.171
11	H	0.169
12	C	0.208
13	C	-0.448
14	H	0.159
15	H	0.158

	x	y	z	Total
	-0.344	0.354	0.100	0.504
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>	142.847
(<r²>)^1/2	11.952

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

using model chemistry: mPW1PW91/6-31G*

States and conformations

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