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	hartrees
Energy at 0K	-196.477338
Energy at 298.15K	-196.486990
HF Energy	-196.477338
Nuclear repulsion energy

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3183	3019	44.42
2	A'	3174	3011	34.18
3	A'	3161	2998	3.42
4	A'	3154	2991	19.20
5	A'	3064	2906	20.60
6	A'	3058	2901	54.45
7	A'	3046	2889	34.03
8	A'	1800	1708	1.28
9	A'	1538	1459	8.02
10	A'	1533	1454	6.34
11	A'	1519	1440	2.00
12	A'	1463	1388	2.70
13	A'	1454	1379	2.31
14	A'	1449	1374	5.80
15	A'	1402	1330	2.73
16	A'	1260	1196	4.22
17	A'	1155	1095	8.73
18	A'	1089	1033	6.49
19	A'	992	941	2.49
20	A'	980	929	1.68
21	A'	786	746	1.66
22	A'	532	504	2.22
23	A'	393	373	0.34
24	A'	307	292	0.23
25	A"	3118	2957	27.68
26	A"	3112	2951	30.46
27	A"	3103	2943	21.47
28	A"	1523	1445	20.46
29	A"	1513	1435	2.00
30	A"	1503	1425	0.65
31	A"	1123	1065	0.59
32	A"	1078	1023	0.59
33	A"	1032	979	2.22
34	A"	833	790	12.55
35	A"	452	429	2.45
36	A"	260	246	1.68
37	A"	164	156	1.15
38	A"	96	91	0.07
39	A"	83	79	0.49

Atom	x (Å)	y (Å)	z (Å)
C1	-1.506	0.490	0.000
H2	-1.969	-0.499	0.000
H3	-1.874	1.033	0.880
H4	-1.874	1.033	-0.880
C5	0.269	-2.093	0.000
H6	0.652	-2.625	-0.880
H7	0.652	-2.625	0.880
H8	-0.819	-2.191	0.000
C9	0.736	-0.667	0.000
H10	1.820	-0.544	0.000
C11	0.000	0.449	0.000
C12	0.659	1.806	0.000
H13	1.750	1.731	0.000
H14	0.357	2.389	0.881
H15	0.357	2.389	-0.881

	C1	H2	H3	H4	C5	H6	H7	H8	C9	H10	C11	C12	H13	H14	H15
C1		1.0918	1.0976	1.0976	3.1345	3.8899	3.8899	2.7680	2.5229	3.4828	1.5065	2.5331	3.4843	2.8016	2.8016
H2	1.0918		1.7693	1.7693	2.7481	3.4874	3.4874	2.0462	2.7102	3.7890	2.1851	3.4950	4.3360	3.8106	3.8106
H3	1.0976	1.7693		1.7603	3.8912	4.7808	4.4448	3.5049	3.2365	4.1114	2.1509	2.7900	3.7937	2.6099	3.1483
H4	1.0976	1.7693	1.7603		3.8912	4.4448	4.7808	3.5049	3.2365	4.1114	2.1509	2.7900	3.7937	3.1483	2.6099
C5	3.1345	2.7481	3.8912	3.8912		1.0971	1.0971	1.0928	1.5011	2.1919	2.5565	3.9187	4.1008	4.5684	4.5684
H6	3.8899	3.4874	4.7808	4.4448	1.0971		1.7609	1.7680	2.1484	2.5433	3.2629	4.5172	4.5772	5.3216	5.0218
H7	3.8899	3.4874	4.4448	4.7808	1.0971	1.7609		1.7680	2.1484	2.5433	3.2629	4.5172	4.5772	5.0218	5.3216
H8	2.7680	2.0462	3.5049	3.5049	1.0928	1.7680	1.7680		2.1779	3.1109	2.7644	4.2617	4.6887	4.8097	4.8097
C9	2.5229	2.7102	3.2365	3.2365	1.5011	2.1484	2.1484	2.1779		1.0906	1.3366	2.4739	2.6030	3.2021	3.2021
H10	3.4828	3.7890	4.1114	4.1114	2.1919	2.5433	2.5433	3.1109	1.0906		2.0731	2.6213	2.2759	3.3935	3.3935
C11	1.5065	2.1851	2.1509	2.1509	2.5565	3.2629	3.2629	2.7644	1.3366	2.0731		1.5084	2.1693	2.1598	2.1598
C12	2.5331	3.4950	2.7900	2.7900	3.9187	4.5172	4.5172	4.2617	2.4739	2.6213	1.5084		1.0940	1.0981	1.0981
H13	3.4843	4.3360	3.7937	3.7937	4.1008	4.5772	4.5772	4.6887	2.6030	2.2759	2.1693	1.0940		1.7745	1.7745
H14	2.8016	3.8106	2.6099	3.1483	4.5684	5.3216	5.0218	4.8097	3.2021	3.3935	2.1598	1.0981	1.7745		1.7611
H15	2.8016	3.8106	3.1483	2.6099	4.5684	5.0218	5.3216	4.8097	3.2021	3.3935	2.1598	1.0981	1.7745	1.7611

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C11	C9	124.983	C1	C11	C12	114.322
H2	C1	H3	107.821	H2	C1	H4	107.821
H2	C1	C11	113.526	H3	C1	H4	106.617
H3	C1	C11	110.388	H4	C1	C11	110.388
C5	C9	H10	114.575	C5	C9	C11	128.462
H6	C5	H7	106.742	H6	C5	H8	107.678
H6	C5	C9	110.601	H7	C5	H8	107.678
H7	C5	C9	110.601	H8	C5	C9	113.266
C9	C11	C12	120.695	H10	C9	C11	116.963
C11	C12	H13	111.946	C11	C12	H14	110.934
C11	C12	H15	110.934	H13	C12	H14	108.096
H13	C12	H15	108.096	H14	C12	H15	106.624

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

using model chemistry: wB97X-D/6-31G*

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	-0.555
2	H	0.170
3	H	0.170
4	H	0.170
5	C	-0.539
6	H	0.173
7	H	0.173
8	H	0.167
9	C	-0.185
10	H	0.140
11	C	0.161
12	C	-0.550
13	H	0.170
14	H	0.167
15	H	0.167

	x	y	z	Total
	-0.167	0.067	0.000	0.180
CHELPG
AIM
ESP

	x	y	z
x	8.128	-1.097	0.000
y	-1.097	10.240	0.000
z	0.000	0.000	5.739

<r²>	150.760
(<r²>)^1/2	12.278

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

using model chemistry: wB97X-D/6-31G*

States and conformations

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