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	hartrees
Energy at 0K	-196.258819
Energy at 298.15K	-196.268508
Nuclear repulsion energy	173.198719

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3072	3054	32.23
2	A	3068	3050	35.01
3	A	3058	3040	13.47
4	A	3050	3032	3.54
5	A	2954	2937	11.02
6	A	2952	2934	75.06
7	A	2945	2928	29.19
8	A	1702	1693	1.22
9	A	1419	1411	7.23
10	A	1415	1406	3.64
11	A	1398	1390	1.71
12	A	1354	1346	5.68
13	A	1348	1340	0.59
14	A	1341	1333	2.97
15	A	1300	1292	2.27
16	A	1203	1196	5.62
17	A	1103	1097	11.45
18	A	1030	1024	9.66
19	A	936	931	3.81
20	A	920	915	0.35
21	A	766	762	2.00
22	A	513	510	2.45
23	A	369	367	0.45
24	A	286	284	0.26
25	A	3005	2988	13.35
26	A	3005	2987	27.86
27	A	3002	2984	19.68
28	A	1408	1400	17.14
29	A	1401	1393	2.19
30	A	1388	1380	0.46
31	A	1047	1041	0.66
32	A	1005	999	0.28
33	A	967	961	2.07
34	A	793	789	9.36
35	A	439	437	2.60
36	A	259	258	1.36
37	A	185	184	1.60
38	A	153	153	0.01
39	A	127	126	0.91

Atom	x (Å)	y (Å)	z (Å)
C1	-1.507	0.493	0.000
H2	-1.972	-0.510	0.000
H3	-1.888	1.044	0.888
H4	-1.888	1.044	-0.888
C5	0.265	-2.100	0.000
H6	0.647	-2.650	-0.888
H7	0.647	-2.650	0.888
H8	-0.838	-2.192	0.000
C9	0.741	-0.677	0.000
H10	1.840	-0.551	0.000
C11	0.000	0.457	0.000
C12	0.663	1.812	0.000
H13	1.767	1.735	0.000
H14	0.359	2.409	0.889
H15	0.359	2.409	-0.889

	C1	H2	H3	H4	C5	H6	H7	H8	C9	H10	C11	C12	H13	H14	H15
C1		1.1057	1.1123	1.1123	3.1410	3.9126	3.9126	2.7675	2.5348	3.5062	1.5079	2.5398	3.5024	2.8182	2.8182
H2	1.1057		1.7922	1.7922	2.7444	3.4968	3.4968	2.0285	2.7184	3.8119	2.1964	3.5124	4.3617	3.8397	3.8397
H3	1.1123	1.7922		1.7765	3.9127	4.8193	4.4801	3.5164	3.2653	4.1506	2.1674	2.8079	3.8244	2.6284	3.1727
H4	1.1123	1.7922	1.7765		3.9127	4.4801	4.8193	3.5164	3.2653	4.1506	2.1674	2.8079	3.8244	3.1727	2.6284
C5	3.1410	2.7444	3.9127	3.9127		1.1121	1.1121	1.1069	1.5009	2.2088	2.5705	3.9328	4.1188	4.5968	4.5968
H6	3.9126	3.4968	4.8193	4.4801	1.1121		1.7759	1.7903	2.1654	2.5714	3.2949	4.5496	4.6114	5.3692	5.0668
H7	3.9126	3.4968	4.4801	4.8193	1.1121	1.7759		1.7903	2.1654	2.5714	3.2949	4.5496	4.6114	5.0668	5.3692
H8	2.7675	2.0285	3.5164	3.5164	1.1069	1.7903	1.7903		2.1889	3.1407	2.7784	4.2768	4.7129	4.8367	4.8367
C9	2.5348	2.7184	3.2653	3.2653	1.5009	2.1654	2.1654	2.1889		1.1055	1.3543	2.4905	2.6209	3.2339	3.2339
H10	3.5062	3.8119	4.1506	4.1506	2.2088	2.5714	2.5714	3.1407	1.1055		2.0976	2.6405	2.2872	3.4272	3.4272
C11	1.5079	2.1964	2.1674	2.1674	2.5705	3.2949	3.2949	2.7784	1.3543	2.0976		1.5091	2.1811	2.1748	2.1748
C12	2.5398	3.5124	2.8079	2.8079	3.9328	4.5496	4.5496	4.2768	2.4905	2.6405	1.5091		1.1074	1.1127	1.1127
H13	3.5024	4.3617	3.8244	3.8244	4.1188	4.6114	4.6114	4.7129	2.6209	2.2872	2.1811	1.1074		1.7970	1.7970
H14	2.8182	3.8397	2.6284	3.1727	4.5968	5.3692	5.0668	4.8367	3.2339	3.4272	2.1748	1.1127	1.7970		1.7774
H15	2.8182	3.8397	3.1727	2.6284	4.5968	5.0668	5.3692	4.8367	3.2339	3.4272	2.1748	1.1127	1.7970	1.7774

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C11	C9	124.565	C1	C11	C12	114.664
H2	C1	H3	107.809	H2	C1	H4	107.809
H2	C1	C11	113.465	H3	C1	H4	105.986
H3	C1	C11	110.717	H4	C1	C11	110.717
C5	C9	H10	115.028	C5	C9	C11	128.314
H6	C5	H7	105.961	H6	C5	H8	107.567
H6	C5	C9	111.054	H7	C5	H8	107.567
H7	C5	C9	111.054	H8	C5	C9	113.282
C9	C11	C12	120.771	H10	C9	C11	116.658
C11	C12	H13	112.027	C11	C12	H14	111.196
C11	C12	H15	111.196	H13	C12	H14	108.077
H13	C12	H15	108.077	H14	C12	H15	106.011

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

using model chemistry: PBEPBE/cc-pVDZ

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	-0.010
2	H	0.027
3	H	0.041
4	H	0.041
5	C	-0.015
6	H	0.044
7	H	0.044
8	H	0.026
9	C	-0.077
10	H	-0.027
11	C	-0.193
12	C	-0.001
13	H	0.023
14	H	0.038
15	H	0.038

	x	y	z	Total
	-0.213	0.048	0.000	0.218
CHELPG
AIM
ESP

	x	y	z
x	9.073	-1.000	0.000
y	-1.000	11.545	0.000
z	0.000	0.000	6.216

<r²>	152.461
(<r²>)^1/2	12.347

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

using model chemistry: PBEPBE/cc-pVDZ

States and conformations

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