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	hartrees
Energy at 0K	-196.511233
Energy at 298.15K	-196.521077
Nuclear repulsion energy	174.793477

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3168	3024	43.66
2	A	3161	3018	23.64
3	A	3148	3005	12.03
4	A	3145	3003	6.88
5	A	3048	2909	11.34
6	A	3045	2907	60.94
7	A	3037	2899	26.87
8	A	1776	1695	1.40
9	A	1500	1432	10.33
10	A	1498	1430	1.47
11	A	1481	1414	1.51
12	A	1422	1358	2.26
13	A	1417	1352	2.36
14	A	1410	1346	5.37
15	A	1368	1306	2.58
16	A	1247	1190	4.64
17	A	1142	1091	10.24
18	A	1073	1024	7.19
19	A	975	931	3.33
20	A	962	919	0.64
21	A	785	749	1.63
22	A	526	502	2.36
23	A	378	361	0.48
24	A	297	283	0.29
25	A	3100	2960	22.41
26	A	3099	2958	24.40
27	A	3094	2954	14.32
28	A	1490	1423	16.96
29	A	1482	1415	1.24
30	A	1470	1403	0.48
31	A	1104	1054	0.38
32	A	1062	1014	0.90
33	A	1018	972	2.04
34	A	835	797	9.50
35	A	459	438	2.11
36	A	266	254	1.41
37	A	188	179	1.11
38	A	147	140	0.05
39	A	129	124	0.62

Atom	x (Å)	y (Å)	z (Å)
C1	-1.500	0.490	0.000
H2	-1.961	-0.498	0.000
H3	-1.870	1.034	0.877
H4	-1.870	1.034	-0.877
C5	0.268	-2.087	0.000
H6	0.649	-2.622	-0.877
H7	0.649	-2.622	0.877
H8	-0.819	-2.183	0.000
C9	0.734	-0.667	0.000
H10	1.816	-0.545	0.000
C11	0.000	0.449	0.000
C12	0.657	1.800	0.000
H13	1.746	1.722	0.000
H14	0.356	2.385	0.877
H15	0.356	2.385	-0.877

	C1	H2	H3	H4	C5	H6	H7	H8	C9	H10	C11	C12	H13	H14	H15
C1		1.0898	1.0962	1.0962	3.1246	3.8817	3.8817	2.7581	2.5152	3.4737	1.5004	2.5228	3.4715	2.7935	2.7935
H2	1.0898		1.7669	1.7669	2.7368	3.4769	3.4769	2.0355	2.6995	3.7769	2.1770	3.4823	4.3202	3.8005	3.8005
H3	1.0962	1.7669		1.7541	3.8826	4.7731	4.4390	3.4955	3.2311	4.1048	2.1468	2.7821	3.7838	2.6041	3.1400
H4	1.0962	1.7669	1.7541		3.8826	4.4390	4.7731	3.4955	3.2311	4.1048	2.1468	2.7821	3.7838	3.1400	2.6041
C5	3.1246	2.7368	3.8826	3.8826		1.0959	1.0959	1.0907	1.4943	2.1847	2.5493	3.9054	4.0856	4.5573	4.5573
H6	3.8817	3.4769	4.7731	4.4390	1.0959		1.7544	1.7651	2.1444	2.5384	3.2584	4.5073	4.5655	5.3129	5.0148
H7	3.8817	3.4769	4.4390	4.7731	1.0959	1.7544		1.7651	2.1444	2.5384	3.2584	4.5073	4.5655	5.0148	5.3129
H8	2.7581	2.0355	3.4955	3.4955	1.0907	1.7651	1.7651		2.1698	3.1022	2.7558	4.2467	4.6718	4.7969	4.7969
C9	2.5152	2.6995	3.2311	3.2311	1.4943	2.1444	2.1444	2.1698		1.0892	1.3350	2.4674	2.5946	3.1973	3.1973
H10	3.4737	3.7769	4.1048	4.1048	2.1847	2.5384	2.5384	3.1022	1.0892		2.0702	2.6158	2.2688	3.3890	3.3890
C11	1.5004	2.1770	2.1468	2.1468	2.5493	3.2584	3.2584	2.7558	1.3350	2.0702		1.5019	2.1609	2.1551	2.1551
C12	2.5228	3.4823	2.7821	2.7821	3.9054	4.5073	4.5073	4.2467	2.4674	2.6158	1.5019		1.0918	1.0965	1.0965
H13	3.4715	4.3202	3.7838	3.7838	4.0856	4.5655	4.5655	4.6718	2.5946	2.2688	2.1609	1.0918		1.7717	1.7717
H14	2.7935	3.8005	2.6041	3.1400	4.5573	5.3129	5.0148	4.7969	3.1973	3.3890	2.1551	1.0965	1.7717		1.7547
H15	2.7935	3.8005	3.1400	2.6041	4.5573	5.0148	5.3129	4.7969	3.1973	3.3890	2.1551	1.0965	1.7717	1.7547

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C11	C9	124.916	C1	C11	C12	114.340
H2	C1	H3	107.848	H2	C1	H4	107.848
H2	C1	C11	113.430	H3	C1	H4	106.268
H3	C1	C11	110.571	H4	C1	C11	110.571
C5	C9	H10	114.570	C5	C9	C11	128.497
H6	C5	H7	106.351	H6	C5	H8	107.651
H6	C5	C9	110.827	H7	C5	H8	107.651
H7	C5	C9	110.827	H8	C5	C9	113.224
C9	C11	C12	120.744	H10	C9	C11	116.933
C11	C12	H13	111.873	C11	C12	H14	111.110
C11	C12	H15	111.110	H13	C12	H14	108.120
H13	C12	H15	108.120	H14	C12	H15	106.279

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

using model chemistry: mPW1PW91/6-31G(2df,p)

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	-0.528
2	H	0.145
3	H	0.148
4	H	0.148
5	C	-0.501
6	H	0.150
7	H	0.150
8	H	0.143
9	C	-0.152
10	H	0.104
11	C	0.277
12	C	-0.517
13	H	0.144
14	H	0.144
15	H	0.144

	x	y	z	Total
	-0.175	0.062	0.000	0.186
CHELPG
AIM
ESP

	x	y	z
x	8.407	-0.980	0.000
y	-0.980	10.657	0.000
z	0.000	0.000	6.020

<r²>	149.880
(<r²>)^1/2	12.243

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

using model chemistry: mPW1PW91/6-31G(2df,p)

States and conformations

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