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	hartrees
Energy at 0K	-34.214238
Energy at 298.15K	-34.224357
Nuclear repulsion energy	97.878434

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3192	3110	39.46
2	A	3095	3016	18.46
3	A	3084	3005	39.63
4	A	3078	3000	54.56
5	A	3071	2993	73.09
6	A	3040	2962	41.73
7	A	3032	2955	16.64
8	A	2987	2911	42.83
9	A	2975	2899	40.45
10	A	2968	2892	46.91
11	A	1680	1638	21.91
12	A	1531	1492	5.10
13	A	1523	1484	7.78
14	A	1518	1479	12.91
15	A	1512	1473	13.56
16	A	1501	1463	4.63
17	A	1461	1424	0.25
18	A	1432	1396	7.91
19	A	1426	1389	5.78
20	A	1353	1319	2.11
21	A	1314	1281	2.11
22	A	1276	1243	1.28
23	A	1123	1094	0.24
24	A	1099	1071	5.98
25	A	1058	1031	2.00
26	A	1023	997	0.92
27	A	1008	983	1.02
28	A	953	928	61.89
29	A	939	915	1.51
30	A	806	786	1.99
31	A	764	745	0.96
32	A	721	703	0.08
33	A	531	517	8.53
34	A	426	415	1.49
35	A	392	382	1.00
36	A	257	250	0.33
37	A	215	209	0.60
38	A	173	168	0.33
39	A	67	65	0.06

Atom	x (Å)	y (Å)	z (Å)
C1	1.027	1.329	0.034
H2	0.416	1.889	-0.688
H3	2.078	1.434	-0.261
H4	0.894	1.819	1.011
C5	-1.921	0.088	-0.396
H6	-1.888	1.181	-0.501
H7	-2.918	-0.180	-0.021
H8	-1.801	-0.352	-1.395
C9	-0.817	-0.433	0.573
H10	-0.939	-1.517	0.705
H11	-0.973	0.027	1.563
C12	0.611	-0.140	0.102
C13	1.468	-1.139	-0.231
H14	1.172	-2.186	-0.176
H15	2.485	-0.935	-0.566

	C1	H2	H3	H4	C5	H6	H7	H8	C9	H10	H11	C12	C13	H14	H15
C1		1.0999	1.0962	1.1012	3.2272	2.9680	4.2243	3.5869	2.6072	3.5237	2.8348	1.5278	2.5209	3.5245	2.7584
H2	1.0999		1.7754	1.7672	2.9645	2.4179	3.9800	3.2304	2.9161	3.9216	3.2352	2.1860	3.2383	4.1767	3.5031
H3	1.0962	1.7754		1.7797	4.2212	3.9816	5.2556	4.4184	3.5447	4.3297	3.8233	2.1815	2.6447	3.7331	2.4232
H4	1.1012	1.7672	1.7797		3.5915	3.2304	4.4264	4.2149	2.8622	3.8187	2.6462	2.1778	3.2590	4.1866	3.5495
C5	3.2272	2.9645	4.2212	3.5915		1.0981	1.0986	1.0981	1.5580	2.1799	2.1770	2.5907	3.6081	3.8459	4.5260
H6	2.9680	2.4179	3.9816	3.2304	1.0981		1.7725	1.7767	2.2144	3.1036	2.5353	2.8907	4.0891	4.5621	4.8586
H7	4.2243	3.9800	5.2556	4.4264	1.0986	1.7725		1.7788	2.1974	2.4959	2.5168	3.5318	4.4946	4.5586	5.4823
H8	3.5869	3.2304	4.4184	4.2149	1.0981	1.7767	1.7788		2.2012	2.5512	3.0949	2.8469	3.5583	3.7004	4.4041
C9	2.6072	2.9161	3.5447	2.8622	1.5580	2.2144	2.1974	2.2012		1.0988	1.1033	1.5329	2.5236	2.7559	3.5288
H10	3.5237	3.9216	4.3297	3.8187	2.1799	3.1036	2.4959	2.5512	1.0988		1.7671	2.1600	2.6104	2.3840	3.6982
H11	2.8348	3.2352	3.8233	2.6462	2.1770	2.5353	2.5168	3.0949	1.1033	1.7671		2.1624	3.2467	3.5398	4.1734
C12	1.5278	2.1860	2.1815	2.1778	2.5907	2.8907	3.5318	2.8469	1.5329	2.1600	2.1624		1.3576	2.1403	2.1417
C13	2.5209	3.2383	2.6447	3.2590	3.6081	4.0891	4.4946	3.5583	2.5236	2.6104	3.2467	1.3576		1.0896	1.0895
H14	3.5245	4.1767	3.7331	4.1866	3.8459	4.5621	4.5586	3.7004	2.7559	2.3840	3.5398	2.1403	1.0896		1.8546
H15	2.7584	3.5031	2.4232	3.5495	4.5260	4.8586	5.4823	4.4041	3.5288	3.6982	4.1734	2.1417	1.0895	1.8546

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C12	C9	116.824	C1	C12	C13	121.665
H2	C1	H3	107.887	H2	C1	H4	106.803
H2	C1	C12	111.555	H3	C1	H4	108.169
H3	C1	C12	111.419	H4	C1	C12	110.815
C5	C9	H10	109.044	C5	C9	H11	108.569
C5	C9	C12	113.893	H6	C5	H7	107.596
H6	C5	H8	107.992	H6	C5	C9	111.798
H7	C5	H8	108.145	H7	C5	C9	110.424
H8	C5	C9	110.747	C9	C12	C13	121.510
H10	C9	H11	106.735	H10	C9	C12	109.213
H11	C9	C12	109.142	C12	C13	H14	121.597
C12	C13	H15	121.746	H14	C13	H15	116.657

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

using model chemistry: B3LYP/CEP-121G

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	-0.666
2	H	0.161
3	H	0.160
4	H	0.151
5	C	-0.489
6	H	0.146
7	H	0.148
8	H	0.149
9	C	-0.344
10	H	0.145
11	H	0.131
12	C	0.616
13	C	-0.569
14	H	0.130
15	H	0.128

	x	y	z	Total
	-0.415	0.445	0.130	0.622
CHELPG
AIM
ESP

	x	y	z
x	9.989	-1.057	-0.692
y	-1.057	9.600	0.408
z	-0.692	0.408	6.961

<r²>	123.678
(<r²>)^1/2	11.121

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

using model chemistry: B3LYP/CEP-121G

States and conformations

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