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	hartrees
Energy at 0K	-196.543386
Energy at 298.15K	-196.553017
HF Energy	-196.543386
Nuclear repulsion energy	174.818461

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3170	3027	42.12
2	A'	3158	3016	31.05
3	A'	3144	3003	3.84
4	A'	3140	2998	18.82
5	A'	3053	2916	20.29
6	A'	3048	2911	51.14
7	A'	3035	2899	33.74
8	A'	1777	1697	2.27
9	A'	1512	1444	9.42
10	A'	1505	1438	8.16
11	A'	1490	1423	2.29
12	A'	1436	1372	4.06
13	A'	1431	1367	3.95
14	A'	1421	1357	8.03
15	A'	1385	1323	1.31
16	A'	1248	1192	3.93
17	A'	1142	1091	9.55
18	A'	1079	1030	5.39
19	A'	983	939	2.94
20	A'	967	924	1.94
21	A'	782	746	1.51
22	A'	534	510	1.83
23	A'	395	377	0.30
24	A'	312	298	0.23
25	A"	3105	2965	21.37
26	A"	3099	2960	25.07
27	A"	3090	2951	20.28
28	A"	1496	1429	24.03
29	A"	1487	1420	2.69
30	A"	1474	1408	0.71
31	A"	1109	1059	0.00
32	A"	1068	1020	1.84
33	A"	1019	973	3.06
34	A"	828	791	14.75
35	A"	452	432	3.97
36	A"	259	247	2.36
37	A"	156	149	1.37
38	A"	82	78	0.23
39	A"	72	69	0.42

Atom	x (Å)	y (Å)	z (Å)
C1	-1.502	0.478	0.000
H2	-1.954	-0.512	0.000
H3	-1.870	1.017	0.878
H4	-1.870	1.017	-0.878
C5	0.274	-2.083	0.000
H6	0.656	-2.611	-0.878
H7	0.656	-2.611	0.878
H8	-0.811	-2.180	0.000
C9	0.738	-0.660	0.000
H10	1.818	-0.532	0.000
C11	0.000	0.447	0.000
C12	0.649	1.804	0.000
H13	1.737	1.733	0.000
H14	0.343	2.381	0.879
H15	0.343	2.381	-0.879

	C1	H2	H3	H4	C5	H6	H7	H8	C9	H10	C11	C12	H13	H14	H15
C1		1.0883	1.0941	1.0941	3.1163	3.8690	3.8690	2.7465	2.5119	3.4697	1.5020	2.5266	3.4733	2.7926	2.7926
H2	1.0883		1.7650	1.7650	2.7264	3.4628	3.4628	2.0225	2.6961	3.7721	2.1770	3.4843	4.3202	3.7974	3.7974
H3	1.0941	1.7650		1.7561	3.8699	4.7567	4.4206	3.4805	3.2220	4.0948	2.1427	2.7809	3.7803	2.5997	3.1376
H4	1.0941	1.7650	1.7561		3.8699	4.4206	4.7567	3.4805	3.2220	4.0948	2.1427	2.7809	3.7803	3.1376	2.5997
C5	3.1163	2.7264	3.8699	3.8699		1.0935	1.0935	1.0894	1.4971	2.1887	2.5453	3.9056	4.0873	4.5506	4.5506
H6	3.8690	3.4628	4.7567	4.4206	1.0935		1.7561	1.7632	2.1414	2.5385	3.2490	4.5020	4.5622	5.3017	5.0022
H7	3.8690	3.4628	4.4206	4.7567	1.0935	1.7561		1.7632	2.1414	2.5385	3.2490	4.5020	4.5622	5.0022	5.3017
H8	2.7465	2.0225	3.4805	3.4805	1.0894	1.7632	1.7632		2.1706	3.1031	2.7501	4.2437	4.6700	4.7867	4.7867
C9	2.5119	2.6961	3.2220	3.2220	1.4971	2.1414	2.1414	2.1706		1.0876	1.3305	2.4658	2.5933	3.1899	3.1899
H10	3.4697	3.7721	4.0948	4.0948	2.1887	2.5385	2.5385	3.1031	1.0876		2.0648	2.6125	2.2667	3.3812	3.3812
C11	1.5020	2.1770	2.1427	2.1427	2.5453	3.2490	3.2490	2.7501	1.3305	2.0648		1.5041	2.1610	2.1516	2.1516
C12	2.5266	3.4843	2.7809	2.7809	3.9056	4.5020	4.5020	4.2437	2.4658	2.6125	1.5041		1.0904	1.0945	1.0945
H13	3.4733	4.3202	3.7803	3.7803	4.0873	4.5622	4.5622	4.6700	2.5933	2.2667	2.1610	1.0904		1.7701	1.7701
H14	2.7926	3.7974	2.5997	3.1376	4.5506	5.3017	5.0022	4.7867	3.1899	3.3812	2.1516	1.0945	1.7701		1.7571
H15	2.7926	3.7974	3.1376	2.5997	4.5506	5.0022	5.3017	4.7867	3.1899	3.3812	2.1516	1.0945	1.7701	1.7571

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C11	C9	124.844	C1	C11	C12	114.384
H2	C1	H3	107.951	H2	C1	H4	107.951
H2	C1	C11	113.406	H3	C1	H4	106.754
H3	C1	C11	110.261	H4	C1	C11	110.261
C5	C9	H10	114.807	C5	C9	C11	128.267
H6	C5	H7	106.826	H6	C5	H8	107.756
H6	C5	C9	110.536	H7	C5	H8	107.756
H7	C5	C9	110.536	H8	C5	C9	113.172
C9	C11	C12	120.772	H10	C9	C11	116.926
C11	C12	H13	111.811	C11	C12	H14	110.804
C11	C12	H15	110.804	H13	C12	H14	108.227
H13	C12	H15	108.227	H14	C12	H15	106.781

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

using model chemistry: wB97X-D/TZVP

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	-0.361
2	H	0.116
3	H	0.126
4	H	0.126
5	C	-0.381
6	H	0.126
7	H	0.126
8	H	0.117
9	C	-0.108
10	H	0.122
11	C	-0.004
12	C	-0.373
13	H	0.124
14	H	0.122
15	H	0.122

	x	y	z	Total
	-0.196	0.061	0.000	0.205
CHELPG
AIM
ESP

	x	y	z
x	9.071	-1.193	0.000
y	-1.193	11.312	0.000
z	0.000	0.000	6.985

<r²>	150.301
(<r²>)^1/2	12.260

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

using model chemistry: wB97X-D/TZVP

States and conformations

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