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	hartrees
Energy at 0K	-196.321170
Energy at 298.15K	-196.331294
HF Energy	-196.321170
Nuclear repulsion energy	175.842109

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3254	3106	18.49
2	A	3166	3023	9.38
3	A	3153	3010	20.42
4	A	3146	3004	36.39
5	A	3143	3001	32.64
6	A	3110	2969	18.26
7	A	3099	2959	13.98
8	A	3061	2923	31.55
9	A	3047	2910	28.04
10	A	3037	2900	28.68
11	A	1735	1657	24.06
12	A	1510	1442	3.15
13	A	1503	1435	9.25
14	A	1497	1429	15.37
15	A	1487	1420	15.00
16	A	1474	1408	3.95
17	A	1448	1383	0.39
18	A	1413	1349	8.08
19	A	1409	1346	5.54
20	A	1357	1296	1.02
21	A	1314	1255	1.49
22	A	1274	1216	0.98
23	A	1117	1066	0.87
24	A	1098	1049	5.40
25	A	1053	1006	0.35
26	A	1033	986	1.20
27	A	999	954	0.98
28	A	954	911	1.51
29	A	924	882	56.04
30	A	803	767	1.89
31	A	786	750	1.36
32	A	724	691	0.25
33	A	537	512	9.28
34	A	433	414	1.55
35	A	400	382	0.95
36	A	267	255	0.22
37	A	221	211	0.78
38	A	180	172	0.37
39	A	67	64	0.06

Atom	x (Å)	y (Å)	z (Å)
C1	0.956	1.340	0.032
H2	0.335	1.881	-0.691
H3	2.002	1.477	-0.255
H4	0.801	1.824	1.005
C5	-1.907	0.075	-0.387
H6	-1.897	1.167	-0.467
H7	-2.897	-0.217	-0.024
H8	-1.781	-0.336	-1.394
C9	-0.813	-0.438	0.552
H10	-0.911	-1.524	0.666
H11	-0.970	-0.003	1.550
C12	0.586	-0.115	0.095
C13	1.455	-1.078	-0.233
H14	1.183	-2.129	-0.182
H15	2.466	-0.846	-0.562

	C1	H2	H3	H4	C5	H6	H7	H8	C9	H10	H11	C12	C13	H14	H15
C1		1.0964	1.0931	1.0975	3.1581	2.9018	4.1567	3.5124	2.5620	3.4772	2.7964	1.5023	2.4826	3.4826	2.7216
H2	1.0964		1.7703	1.7598	2.8946	2.3540	3.9108	3.1444	2.8711	3.8713	3.2057	2.1596	3.1966	4.1300	3.4630
H3	1.0931	1.7703		1.7749	4.1548	3.9172	5.1891	4.3471	3.4992	4.2823	3.7793	2.1585	2.6121	3.6979	2.3879
H4	1.0975	1.7598	1.7749		3.5112	3.1427	4.3476	4.1337	2.8157	3.7755	2.6025	2.1525	3.2217	4.1446	3.5144
C5	3.1581	2.8946	4.1548	3.5112		1.0946	1.0946	1.0950	1.5306	2.1580	2.1533	2.5466	3.5579	3.8013	4.4719
H6	2.9018	2.3540	3.9172	3.1427	1.0946		1.7643	1.7699	2.1887	3.0813	2.5092	2.8505	4.0412	4.5201	4.8054
H7	4.1567	3.9108	5.1891	4.3476	1.0946	1.7643		1.7712	2.1736	2.4753	2.4974	3.4872	4.4419	4.5089	5.4263
H8	3.5124	3.1444	4.3471	4.1337	1.0950	1.7699	1.7712		2.1761	2.5317	3.0719	2.8054	3.5175	3.6702	4.3575
C9	2.5620	2.8711	3.4992	2.8157	1.5306	2.1887	2.1736	2.1761		1.0958	1.0999	1.5076	2.4844	2.7170	3.4866
H10	3.4772	3.8713	4.2823	3.7755	2.1580	3.0813	2.4753	2.5317	1.0958		1.7601	2.1342	2.5708	2.3391	3.6563
H11	2.7964	3.2057	3.7793	2.6025	2.1533	2.5092	2.4974	3.0719	1.0999	1.7601		2.1341	3.1966	3.4864	4.1198
C12	1.5023	2.1596	2.1585	2.1525	2.5466	2.8505	3.4872	2.8054	1.5076	2.1342	2.1341		1.3378	2.1186	2.1203
C13	2.4826	3.1966	2.6121	3.2217	3.5579	4.0412	4.4419	3.5175	2.4844	2.5708	3.1966	1.3378		1.0871	1.0870
H14	3.4826	4.1300	3.6979	4.1446	3.8013	4.5201	4.5089	3.6702	2.7170	2.3391	3.4864	2.1186	1.0871		1.8532
H15	2.7216	3.4630	2.3879	3.5144	4.4719	4.8054	5.4263	4.3575	3.4866	3.6563	4.1198	2.1203	1.0870	1.8532

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C12	C9	116.682	C1	C12	C13	121.782
H2	C1	H3	107.905	H2	C1	H4	106.665
H2	C1	C12	111.450	H3	C1	H4	108.238
H3	C1	C12	111.570	H4	C1	C12	110.813
C5	C9	H10	109.388	C5	C9	H11	108.782
C5	C9	C12	113.897	H6	C5	H7	107.390
H6	C5	H8	107.862	H6	C5	C9	111.893
H7	C5	H8	107.983	H7	C5	C9	110.682
H8	C5	C9	110.864	C9	C12	C13	121.535
H10	C9	H11	106.570	H10	C9	C12	109.098
H11	C9	C12	108.847	C12	C13	H14	121.442
C12	C13	H15	121.615	H14	C13	H15	116.943

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

using model chemistry: HSEh1PBE/6-31+G**

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	-0.741
2	H	0.172
3	H	0.168
4	H	0.173
5	C	-0.605
6	H	0.161
7	H	0.167
8	H	0.174
9	C	-0.227
10	H	0.158
11	H	0.165
12	C	0.419
13	C	-0.471
14	H	0.143
15	H	0.144

	x	y	z	Total
	-0.419	0.403	0.137	0.597
CHELPG
AIM
ESP

	x	y	z
x	10.127	-0.993	-0.476
y	-0.993	9.546	0.330
z	-0.476	0.330	7.424

<r²>	143.399
(<r²>)^1/2	11.975

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

using model chemistry: HSEh1PBE/6-31+G**

States and conformations

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