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	hartrees
Energy at 0K	-196.335361
Energy at 298.15K	-196.327391
Nuclear repulsion energy

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3148	3023	53.92
2	A	3139	3014	31.86
3	A	3125	3001	5.03
4	A	3120	2996	17.43
5	A	3032	2912	7.13
6	A	3029	2909	84.13
7	A	3022	2902	25.84
8	A	1761	1691	0.87
9	A	1530	1469	9.64
10	A	1529	1468	0.98
11	A	1513	1453	1.24
12	A	1454	1396	0.61
13	A	1443	1386	0.29
14	A	1440	1383	4.35
15	A	1394	1338	4.58
16	A	1248	1198	4.90
17	A	1144	1098	9.32
18	A	1081	1038	5.98
19	A	981	942	1.63
20	A	970	932	1.96
21	A	776	745	1.64
22	A	527	506	2.14
23	A	384	369	0.38
24	A	302	290	0.23
25	A	3071	2949	39.67
26	A	3070	2948	36.22
27	A	3064	2943	13.26
28	A	1521	1460	15.93
29	A	1514	1454	1.35
30	A	1502	1443	0.75
31	A	1120	1075	0.47
32	A	1075	1032	0.64
33	A	1032	991	1.87
34	A	838	804	10.56
35	A	454	436	1.89
36	A	264	254	1.32
37	A	187	180	1.10
38	A	154	148	0.05
39	A	127	122	0.62

Atom	x (Å)	y (Å)	z (Å)
C1	-1.509	0.496	0.000
H2	-1.973	-0.493	0.000
H3	-1.880	1.041	0.880
H4	-1.880	1.041	-0.880
C5	0.268	-2.100	0.000
H6	0.650	-2.636	-0.880
H7	0.650	-2.636	0.880
H8	-0.821	-2.198	0.000
C9	0.735	-0.671	0.000
H10	1.820	-0.553	0.000
C11	0.000	0.451	0.000
C12	0.664	1.808	0.000
H13	1.756	1.730	0.000
H14	0.366	2.396	0.880
H15	0.366	2.396	-0.880

	C1	H2	H3	H4	C5	H6	H7	H8	C9	H10	C11	C12	H13	H14	H15
C1		1.0924	1.0992	1.0992	3.1458	3.9045	3.9045	2.7805	2.5294	3.4904	1.5093	2.5379	3.4894	2.8103	2.8103
H2	1.0924		1.7702	1.7702	2.7573	3.4993	3.4993	2.0576	2.7137	3.7933	2.1868	3.4993	4.3402	3.8195	3.8195
H3	1.0992	1.7702		1.7591	3.9053	4.7975	4.4632	3.5191	3.2473	4.1240	2.1579	2.7990	3.8035	2.6233	3.1587
H4	1.0992	1.7702	1.7591		3.9053	4.4632	4.7975	3.5191	3.2473	4.1240	2.1579	2.7990	3.8035	3.1587	2.6233
C5	3.1458	2.7573	3.9053	3.9053		1.0989	1.0989	1.0933	1.5032	2.1915	2.5651	3.9283	4.1083	4.5826	4.5826
H6	3.9045	3.4993	4.7975	4.4632	1.0989		1.7596	1.7691	2.1545	2.5461	3.2753	4.5307	4.5886	5.3388	5.0405
H7	3.9045	3.4993	4.4632	4.7975	1.0989	1.7596		1.7691	2.1545	2.5461	3.2753	4.5307	4.5886	5.0405	5.3388
H8	2.7805	2.0576	3.5191	3.5191	1.0933	1.7691	1.7691		2.1800	3.1116	2.7734	4.2726	4.6972	4.8260	4.8260
C9	2.5294	2.7137	3.2473	3.2473	1.5032	2.1545	2.1545	2.1800		1.0915	1.3417	2.4806	2.6086	3.2126	3.2126
H10	3.4904	3.7933	4.1240	4.1240	2.1915	2.5461	2.5461	3.1116	1.0915		2.0789	2.6294	2.2835	3.4043	3.4043
C11	1.5093	2.1868	2.1579	2.1579	2.5651	3.2753	3.2753	2.7734	1.3417	2.0789		1.5108	2.1717	2.1661	2.1661
C12	2.5379	3.4993	2.7990	2.7990	3.9283	4.5307	4.5307	4.2726	2.4806	2.6294	1.5108		1.0947	1.0994	1.0994
H13	3.4894	4.3402	3.8035	3.8035	4.1083	4.5886	4.5886	4.6972	2.6086	2.2835	2.1717	1.0947		1.7750	1.7750
H14	2.8103	3.8195	2.6233	3.1587	4.5826	5.3388	5.0405	4.8260	3.2126	3.4043	2.1661	1.0994	1.7750		1.7597
H15	2.8103	3.8195	3.1587	2.6233	4.5826	5.0405	5.3388	4.8260	3.2126	3.4043	2.1661	1.0994	1.7750	1.7597

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C11	C9	124.938	C1	C11	C12	114.347
H2	C1	H3	107.752	H2	C1	H4	107.752
H2	C1	C11	113.420	H3	C1	H4	106.300
H3	C1	C11	110.653	H4	C1	C11	110.653
C5	C9	H10	114.329	C5	C9	C11	128.661
H6	C5	H7	106.386	H6	C5	H8	107.610
H6	C5	C9	110.833	H7	C5	H8	107.610
H7	C5	C9	110.833	H8	C5	C9	113.257
C9	C11	C12	120.716	H10	C9	C11	117.011
C11	C12	H13	111.930	C11	C12	H14	111.184
C11	C12	H15	111.184	H13	C12	H14	107.994
H13	C12	H15	107.994	H14	C12	H15	106.313

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

using model chemistry: G3B3

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	CHELPG	ESP
1	C	-0.512	-0.159	-0.280
2	H	0.152	0.059	0.086
3	H	0.151	0.050	0.084
4	H	0.151	0.050	0.084
5	C	-0.487	0.092	-0.187
6	H	0.153	-0.001	0.070
7	H	0.153	-0.001	0.070
8	H	0.151	-0.004	0.072
9	C	-0.154	-0.284	-0.225
10	H	0.111	0.115	0.121
11	C	0.194	0.131	0.205
12	C	-0.505	-0.291	-0.515
13	H	0.150	0.087	0.124
14	H	0.148	0.071	0.145
15	H	0.148	0.087	0.145

	x	y	z	Total
	-0.170	0.048	0.000	0.177
CHELPG	-0.083	0.194	0.000	0.211
AIM
ESP	-0.223	0.053	0.000	0.230

<r²>	151.586
(<r²>)^1/2	12.312

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

using model chemistry: G3B3

States and conformations

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