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	hartrees
Energy at 0K	-196.268209
Energy at 298.15K	-196.277920
Nuclear repulsion energy	173.640062

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3072	3040	44.62
2	A	3068	3037	24.33
3	A	3057	3026	15.04
4	A	3051	3020	3.08
5	A	2958	2928	10.88
6	A	2955	2925	65.76
7	A	2948	2918	26.97
8	A	1701	1683	1.11
9	A	1448	1433	8.18
10	A	1446	1431	1.64
11	A	1429	1414	1.24
12	A	1368	1354	1.45
13	A	1361	1347	1.92
14	A	1355	1341	5.37
15	A	1320	1306	2.49
16	A	1204	1191	5.43
17	A	1106	1094	10.73
18	A	1037	1026	8.06
19	A	943	933	3.46
20	A	930	920	0.45
21	A	762	754	1.81
22	A	512	507	2.39
23	A	368	364	0.45
24	A	289	286	0.29
25	A	3006	2975	19.65
26	A	3004	2973	24.83
27	A	3001	2970	15.76
28	A	1438	1423	15.27
29	A	1430	1415	1.21
30	A	1418	1403	0.40
31	A	1062	1051	0.44
32	A	1018	1007	0.55
33	A	982	972	1.77
34	A	801	793	8.78
35	A	442	438	1.79
36	A	258	256	1.27
37	A	187	185	1.14
38	A	153	151	0.06
39	A	131	130	0.75

Atom	x (Å)	y (Å)	z (Å)
C1	-1.507	0.496	0.000
H2	-1.973	-0.499	0.000
H3	-1.882	1.045	0.883
H4	-1.882	1.045	-0.883
C5	0.266	-2.099	0.000
H6	0.648	-2.643	-0.883
H7	0.648	-2.643	0.883
H8	-0.830	-2.193	0.000
C9	0.738	-0.674	0.000
H10	1.830	-0.553	0.000
C11	0.000	0.453	0.000
C12	0.663	1.809	0.000
H13	1.761	1.729	0.000
H14	0.362	2.402	0.884
H15	0.362	2.402	-0.884

	C1	H2	H3	H4	C5	H6	H7	H8	C9	H10	C11	C12	H13	H14	H15
C1		1.0992	1.1057	1.1057	3.1427	3.9082	3.9082	2.7725	2.5315	3.4977	1.5074	2.5358	3.4925	2.8114	2.8114
H2	1.0992		1.7816	1.7816	2.7512	3.4985	3.4985	2.0424	2.7161	3.8027	2.1907	3.5034	4.3480	3.8273	3.8273
H3	1.1057	1.7816		1.7664	3.9090	4.8085	4.4722	3.5171	3.2561	4.1370	2.1618	2.8002	3.8106	2.6223	3.1619
H4	1.1057	1.7816	1.7664		3.9090	4.4722	4.8085	3.5171	3.2561	4.1370	2.1618	2.8002	3.8106	3.1619	2.6223
C5	3.1427	2.7512	3.9090	3.9090		1.1053	1.1053	1.1002	1.5006	2.1987	2.5660	3.9276	4.1092	4.5877	4.5877
H6	3.9082	3.4985	4.8085	4.4722	1.1053		1.7667	1.7797	2.1592	2.5577	3.2839	4.5380	4.5965	5.3526	5.0525
H7	3.9082	3.4985	4.4722	4.8085	1.1053	1.7667		1.7797	2.1592	2.5577	3.2839	4.5380	4.5965	5.0525	5.3526
H8	2.7725	2.0424	3.5171	3.5171	1.1002	1.7797	1.7797		2.1826	3.1245	2.7731	4.2707	4.7001	4.8281	4.8281
C9	2.5315	2.7161	3.2561	3.2561	1.5006	2.1592	2.1592	2.1826		1.0986	1.3476	2.4841	2.6119	3.2226	3.2226
H10	3.4977	3.8027	4.1370	4.1370	2.1987	2.5577	2.5577	3.1245	1.0986		2.0883	2.6344	2.2831	3.4160	3.4160
C11	1.5074	2.1907	2.1618	2.1618	2.5660	3.2839	3.2839	2.7731	1.3476	2.0883		1.5088	2.1743	2.1699	2.1699
C12	2.5358	3.5034	2.8002	2.8002	3.9276	4.5380	4.5380	4.2707	2.4841	2.6344	1.5088		1.1009	1.1060	1.1060
H13	3.4925	4.3480	3.8106	3.8106	4.1092	4.5965	4.5965	4.7001	2.6119	2.2831	2.1743	1.1009		1.7865	1.7865
H14	2.8114	3.8273	2.6223	3.1619	4.5877	5.3526	5.0525	4.8281	3.2226	3.4160	2.1699	1.1060	1.7865		1.7670
H15	2.8114	3.8273	3.1619	2.6223	4.5877	5.0525	5.3526	4.8281	3.2226	3.4160	2.1699	1.1060	1.7865	1.7670

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C11	C9	124.824	C1	C11	C12	114.437
H2	C1	H3	107.808	H2	C1	H4	107.808
H2	C1	C11	113.447	H3	C1	H4	106.030
H3	C1	C11	110.708	H4	C1	C11	110.708
C5	C9	H10	114.654	C5	C9	C11	128.475
H6	C5	H7	106.105	H6	C5	H8	107.599
H6	C5	C9	110.993	H7	C5	H8	107.599
H7	C5	C9	110.993	H8	C5	C9	113.216
C9	C11	C12	120.740	H10	C9	C11	116.871
C11	C12	H13	111.905	C11	C12	H14	111.235
C11	C12	H15	111.235	H13	C12	H14	108.091
H13	C12	H15	108.091	H14	C12	H15	106.033

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

using model chemistry: PBEPBE/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	-0.508
2	H	0.131
3	H	0.133
4	H	0.133
5	C	-0.471
6	H	0.135
7	H	0.135
8	H	0.128
9	C	-0.124
10	H	0.078
11	C	0.336
12	C	-0.494
13	H	0.128
14	H	0.129
15	H	0.129

	x	y	z	Total
	-0.183	0.049	0.000	0.189
CHELPG
AIM
ESP

	x	y	z
x	8.724	-0.963	0.000
y	-0.963	11.142	0.000
z	0.000	0.000	6.153

<r²>	0.000
(<r²>)^1/2	0.000

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

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

States and conformations

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