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	hartrees
Energy at 0K	-196.489113
Energy at 298.15K	-196.498782
HF Energy	-196.489113
Nuclear repulsion energy	174.235621

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3074	3027	51.46
2	A'	3068	3021	36.07
3	A'	3053	3007	11.31
4	A'	3051	3004	10.30
5	A'	2962	2917	13.21
6	A'	2960	2915	96.55
7	A'	2953	2907	34.43
8	A'	1694	1668	1.63
9	A'	1468	1446	9.94
10	A'	1465	1443	2.12
11	A'	1450	1428	1.50
12	A'	1389	1368	0.66
13	A'	1383	1362	1.45
14	A'	1376	1355	6.45
15	A'	1346	1325	3.28
16	A'	1208	1190	5.17
17	A'	1106	1089	11.67
18	A'	1046	1030	4.22
19	A'	947	932	2.44
20	A'	940	925	2.20
21	A'	758	747	1.52
22	A'	517	509	1.75
23	A'	378	373	0.42
24	A'	289	285	0.24
25	A"	2999	2953	30.80
26	A"	2998	2953	25.98
27	A"	2994	2949	22.18
28	A"	1461	1438	15.58
29	A"	1452	1430	2.47
30	A"	1441	1419	0.64
31	A"	1078	1061	0.16
32	A"	1037	1021	1.36
33	A"	994	979	2.59
34	A"	805	793	12.48
35	A"	441	434	3.21
36	A"	255	251	1.84
37	A"	176	174	1.20
38	A"	128	126	0.10
39	A"	104	103	0.68

Atom	x (Å)	y (Å)	z (Å)
C1	-1.505	0.488	0.000
H2	-1.964	-0.502	0.000
H3	-1.875	1.033	0.879
H4	-1.875	1.033	-0.879
C5	0.272	-2.094	0.000
H6	0.654	-2.630	-0.879
H7	0.654	-2.630	0.879
H8	-0.816	-2.190	0.000
C9	0.739	-0.669	0.000
H10	1.823	-0.545	0.000
C11	0.000	0.451	0.000
C12	0.654	1.809	0.000
H13	1.745	1.736	0.000
H14	0.348	2.392	0.880
H15	0.348	2.392	-0.880

	C1	H2	H3	H4	C5	H6	H7	H8	C9	H10	C11	C12	H13	H14	H15
C1		1.0912	1.0983	1.0983	3.1343	3.8927	3.8927	2.7649	2.5249	3.4850	1.5054	2.5305	3.4809	2.7982	2.7982
H2	1.0912		1.7709	1.7709	2.7447	3.4861	3.4861	2.0410	2.7084	3.7876	2.1828	3.4915	4.3314	3.8066	3.8066
H3	1.0983	1.7709		1.7581	3.8932	4.7852	4.4505	3.5039	3.2406	4.1156	2.1508	2.7869	3.7903	2.6049	3.1430
H4	1.0983	1.7709	1.7581		3.8932	4.4505	4.7852	3.5039	3.2406	4.1156	2.1508	2.7869	3.7903	3.1430	2.6049
C5	3.1343	2.7447	3.8932	3.8932		1.0981	1.0981	1.0923	1.4998	2.1925	2.5593	3.9215	4.1033	4.5717	4.5717
H6	3.8927	3.4861	4.7852	4.4505	1.0981		1.7583	1.7686	2.1505	2.5469	3.2695	4.5247	4.5847	5.3291	5.0305
H7	3.8927	3.4861	4.4505	4.7852	1.0981	1.7583		1.7686	2.1505	2.5469	3.2695	4.5247	4.5847	5.0305	5.3291
H8	2.7649	2.0410	3.5039	3.5039	1.0923	1.7686	1.7686		2.1755	3.1102	2.7638	4.2601	4.6870	4.8080	4.8080
C9	2.5249	2.7084	3.2406	3.2406	1.4998	2.1505	2.1505	2.1755		1.0912	1.3418	2.4792	2.6064	3.2084	3.2084
H10	3.4850	3.7876	4.1156	4.1156	2.1925	2.5469	2.5469	3.1102	1.0912		2.0777	2.6285	2.2822	3.4022	3.4022
C11	1.5054	2.1828	2.1508	2.1508	2.5593	3.2695	3.2695	2.7638	1.3418	2.0777		1.5071	2.1668	2.1590	2.1590
C12	2.5305	3.4915	2.7869	2.7869	3.9215	4.5247	4.5247	4.2601	2.4792	2.6285	1.5071		1.0936	1.0986	1.0986
H13	3.4809	4.3314	3.7903	3.7903	4.1033	4.5847	4.5847	4.6870	2.6064	2.2822	2.1668	1.0936		1.7763	1.7763
H14	2.7982	3.8066	2.6049	3.1430	4.5717	5.3291	5.0305	4.8080	3.2084	3.4022	2.1590	1.0986	1.7763		1.7592
H15	2.7982	3.8066	3.1430	2.6049	4.5717	5.0305	5.3291	4.8080	3.2084	3.4022	2.1590	1.0986	1.7763	1.7592

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C11	C9	124.854	C1	C11	C12	114.282
H2	C1	H3	107.963	H2	C1	H4	107.963
H2	C1	C11	113.457	H3	C1	H4	106.336
H3	C1	C11	110.415	H4	C1	C11	110.415
C5	C9	H10	114.681	C5	C9	C11	128.403
H6	C5	H7	106.382	H6	C5	H8	107.693
H6	C5	C9	110.793	H7	C5	H8	107.693
H7	C5	C9	110.793	H8	C5	C9	113.185
C9	C11	C12	120.864	H10	C9	C11	116.916
C11	C12	H13	111.871	C11	C12	H14	110.934
C11	C12	H15	110.934	H13	C12	H14	108.250
H13	C12	H15	108.250	H14	C12	H15	106.392

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

using model chemistry: B97D3/aug-cc-pVTZ

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	-0.653
2	H	0.187
3	H	0.122
4	H	0.122
5	C	-0.470
6	H	0.123
7	H	0.123
8	H	0.228
9	C	-0.585
10	H	-0.050
11	C	1.079
12	C	-0.649
13	H	0.139
14	H	0.141
15	H	0.141

	x	y	z	Total
	-0.206	0.039	0.000	0.209
CHELPG
AIM
ESP

	x	y	z
x	10.128	-0.928	0.000
y	-0.928	12.606	0.000
z	0.000	0.000	7.765

<r²>	151.427
(<r²>)^1/2	12.306

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

using model chemistry: B97D3/aug-cc-pVTZ

States and conformations

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