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	hartrees
Energy at 0K	-196.481978
Energy at 298.15K	-196.491626
HF Energy	-196.481978
Nuclear repulsion energy	174.196520

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3070	3030	51.53
2	A'	3064	3024	37.76
3	A'	3049	3009	12.23
4	A'	3046	3006	9.89
5	A'	2957	2919	12.09
6	A'	2955	2917	95.59
7	A'	2947	2909	34.79
8	A'	1692	1670	1.69
9	A'	1469	1450	11.04
10	A'	1466	1447	1.86
11	A'	1452	1433	1.65
12	A'	1389	1371	0.71
13	A'	1383	1365	1.45
14	A'	1376	1358	6.37
15	A'	1345	1327	3.47
16	A'	1208	1192	5.27
17	A'	1105	1090	12.04
18	A'	1045	1032	4.27
19	A'	946	933	2.70
20	A'	938	926	2.00
21	A'	758	748	1.49
22	A'	517	511	1.74
23	A'	379	374	0.42
24	A'	290	286	0.22
25	A"	2995	2956	32.00
26	A"	2994	2955	25.75
27	A"	2990	2951	21.14
28	A"	1462	1443	16.50
29	A"	1453	1434	2.31
30	A"	1442	1423	0.71
31	A"	1075	1061	0.16
32	A"	1034	1020	1.50
33	A"	992	979	2.67
34	A"	805	795	12.55
35	A"	440	434	3.25
36	A"	254	251	1.83
37	A"	174	172	1.29
38	A"	126	125	0.09
39	A"	103	102	0.73

Atom	x (Å)	y (Å)	z (Å)
C1	-1.506	0.485	0.000
H2	-1.963	-0.505	0.000
H3	-1.877	1.029	0.879
H4	-1.877	1.029	-0.879
C5	0.273	-2.094	0.000
H6	0.655	-2.630	-0.879
H7	0.655	-2.630	0.879
H8	-0.815	-2.190	0.000
C9	0.741	-0.668	0.000
H10	1.825	-0.543	0.000
C11	0.000	0.451	0.000
C12	0.652	1.811	0.000
H13	1.743	1.740	0.000
H14	0.345	2.393	0.880
H15	0.345	2.393	-0.880

	C1	H2	H3	H4	C5	H6	H7	H8	C9	H10	C11	C12	H13	H14	H15
C1		1.0912	1.0984	1.0984	3.1332	3.8917	3.8917	2.7629	2.5252	3.4861	1.5059	2.5316	3.4822	2.7998	2.7998
H2	1.0912		1.7705	1.7705	2.7431	3.4843	3.4843	2.0385	2.7086	3.7884	2.1834	3.4926	4.3328	3.8082	3.8082
H3	1.0984	1.7705		1.7583	3.8922	4.7843	4.4495	3.5017	3.2412	4.1172	2.1517	2.7886	3.7921	2.6074	3.1451
H4	1.0984	1.7705	1.7583		3.8922	4.4495	4.7843	3.5017	3.2412	4.1172	2.1517	2.7886	3.7921	3.1451	2.6074
C5	3.1332	2.7431	3.8922	3.8922		1.0981	1.0981	1.0924	1.5005	2.1936	2.5594	3.9227	4.1056	4.5729	4.5729
H6	3.8917	3.4843	4.7843	4.4495	1.0981		1.7584	1.7684	2.1515	2.5485	3.2700	4.5265	4.5880	5.3309	5.0324
H7	3.8917	3.4843	4.4495	4.7843	1.0981	1.7584		1.7684	2.1515	2.5485	3.2700	4.5265	4.5880	5.0324	5.3309
H8	2.7629	2.0385	3.5017	3.5017	1.0924	1.7684	1.7684		2.1761	3.1112	2.7635	4.2606	4.6886	4.8086	4.8086
C9	2.5252	2.7086	3.2412	3.2412	1.5005	2.1515	2.1515	2.1761		1.0916	1.3420	2.4802	2.6080	3.2095	3.2095
H10	3.4861	3.7884	4.1172	4.1172	2.1936	2.5485	2.5485	3.1112	1.0916		2.0786	2.6305	2.2848	3.4041	3.4041
C11	1.5059	2.1834	2.1517	2.1517	2.5594	3.2700	3.2700	2.7635	1.3420	2.0786		1.5077	2.1677	2.1599	2.1599
C12	2.5316	3.4926	2.7886	2.7886	3.9227	4.5265	4.5265	4.2606	2.4802	2.6305	1.5077		1.0936	1.0986	1.0986
H13	3.4822	4.3328	3.7921	3.7921	4.1056	4.5880	4.5880	4.6886	2.6080	2.2848	2.1677	1.0936		1.7759	1.7759
H14	2.7998	3.8082	2.6074	3.1451	4.5729	5.3309	5.0324	4.8086	3.2095	3.4041	2.1599	1.0986	1.7759		1.7593
H15	2.7998	3.8082	3.1451	2.6074	4.5729	5.0324	5.3309	4.8086	3.2095	3.4041	2.1599	1.0986	1.7759	1.7593

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C11	C9	124.757	C1	C11	C12	114.386
H2	C1	H3	107.927	H2	C1	H4	107.927
H2	C1	C11	113.451	H3	C1	H4	106.437
H3	C1	C11	110.407	H4	C1	C11	110.407
C5	C9	H10	114.762	C5	C9	C11	128.276
H6	C5	H7	106.471	H6	C5	H8	107.678
H6	C5	C9	110.791	H7	C5	H8	107.678
H7	C5	C9	110.791	H8	C5	C9	113.139
C9	C11	C12	120.858	H10	C9	C11	116.963
C11	C12	H13	111.899	C11	C12	H14	110.965
C11	C12	H15	110.965	H13	C12	H14	108.178
H13	C12	H15	108.178	H14	C12	H15	106.442

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

using model chemistry: B97D3/6-311+G(3df,2p)

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	-0.506
2	H	0.104
3	H	0.124
4	H	0.124
5	C	-0.357
6	H	0.121
7	H	0.121
8	H	0.110
9	C	-0.363
10	H	0.088
11	C	0.464
12	C	-0.384
13	H	0.098
14	H	0.127
15	H	0.127

	x	y	z	Total
	-0.211	0.045	0.000	0.216
CHELPG
AIM
ESP

	x	y	z
x	10.008	-0.924	0.000
y	-0.924	12.418	0.000
z	0.000	0.000	7.628

<r²>	151.463
(<r²>)^1/2	12.307

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

using model chemistry: B97D3/6-311+G(3df,2p)

States and conformations

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