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	hartrees
Energy at 0K	-196.513457
Energy at 298.15K	-196.523215
Nuclear repulsion energy	172.918494

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3159	3037	75.52
2	A	3149	3027	39.46
3	A	3135	3013	6.20
4	A	3130	3009	23.33
5	A	3027	2910	15.24
6	A	3023	2906	87.23
7	A	3016	2900	34.80
8	A	1746	1679	2.89
9	A	1524	1465	16.91
10	A	1521	1462	9.26
11	A	1509	1450	3.96
12	A	1450	1394	5.70
13	A	1441	1385	14.20
14	A	1434	1378	14.21
15	A	1397	1343	1.54
16	A	1253	1205	6.04
17	A	1145	1101	12.23
18	A	1082	1040	11.87
19	A	981	943	2.48
20	A	971	934	2.07
21	A	770	740	2.40
22	A	527	506	2.60
23	A	382	367	0.68
24	A	300	289	0.19
25	A	3087	2968	59.35
26	A	3085	2966	50.90
27	A	3081	2961	3.67
28	A	1518	1459	34.52
29	A	1513	1454	0.71
30	A	1502	1443	2.91
31	A	1121	1077	3.49
32	A	1080	1038	0.50
33	A	1031	991	4.69
34	A	851	818	22.78
35	A	457	439	4.64
36	A	260	250	2.96
37	A	178	171	1.96
38	A	128	123	0.01
39	A	110	105	0.93

Atom	x (Å)	y (Å)	z (Å)
C1	-1.518	0.497	0.000
H2	-1.977	-0.496	0.000
H3	-1.888	1.040	0.883
H4	-1.888	1.040	-0.883
C5	0.269	-2.115	0.000
H6	0.649	-2.650	-0.883
H7	0.649	-2.650	0.883
H8	-0.822	-2.204	0.000
C9	0.745	-0.677	0.000
H10	1.832	-0.561	0.000
C11	0.000	0.456	0.000
C12	0.664	1.824	0.000
H13	1.758	1.746	0.000
H14	0.363	2.409	0.883
H15	0.363	2.409	-0.883

	C1	H2	H3	H4	C5	H6	H7	H8	C9	H10	C11	C12	H13	H14	H15
C1		1.0938	1.1006	1.1006	3.1651	3.9219	3.9219	2.7895	2.5497	3.5130	1.5186	2.5539	3.5054	2.8235	2.8235
H2	1.0938		1.7738	1.7738	2.7686	3.5092	3.5092	2.0618	2.7277	3.8090	2.1937	3.5150	4.3552	3.8327	3.8327
H3	1.1006	1.7738		1.7657	3.9229	4.8140	4.4784	3.5272	3.2656	4.1453	2.1650	2.8124	3.8171	2.6349	3.1720
H4	1.1006	1.7738	1.7657		3.9229	4.4784	4.8140	3.5272	3.2656	4.1453	2.1650	2.8124	3.8171	3.1720	2.6349
C5	3.1651	2.7686	3.9229	3.9229		1.1002	1.1002	1.0948	1.5145	2.2039	2.5847	3.9588	4.1374	4.6096	4.6096
H6	3.9219	3.5092	4.8140	4.4784	1.1002		1.7661	1.7729	2.1635	2.5579	3.2933	4.5604	4.6182	5.3653	5.0663
H7	3.9219	3.5092	4.4784	4.8140	1.1002	1.7661		1.7729	2.1635	2.5579	3.2933	4.5604	4.6182	5.0663	5.3653
H8	2.7895	2.0618	3.5272	3.5272	1.0948	1.7729	1.7729		2.1879	3.1214	2.7838	4.2935	4.7173	4.8434	4.8434
C9	2.5497	2.7277	3.2656	3.2656	1.5145	2.1635	2.1635	2.1879		1.0930	1.3559	2.5026	2.6257	3.2320	3.2320
H10	3.5130	3.8090	4.1453	4.1453	2.2039	2.5579	2.5579	3.1214	1.0930		2.0950	2.6555	2.3075	3.4281	3.4281
C11	1.5186	2.1937	2.1650	2.1650	2.5847	3.2933	3.2933	2.7838	1.3559	2.0950		1.5211	2.1801	2.1737	2.1737
C12	2.5539	3.5150	2.8124	2.8124	3.9588	4.5604	4.5604	4.2935	2.5026	2.6555	1.5211		1.0963	1.1007	1.1007
H13	3.5054	4.3552	3.8171	3.8171	4.1374	4.6182	4.6182	4.7173	2.6257	2.3075	2.1801	1.0963		1.7784	1.7784
H14	2.8235	3.8327	2.6349	3.1720	4.6096	5.3653	5.0663	4.8434	3.2320	3.4281	2.1737	1.1007	1.7784		1.7663
H15	2.8235	3.8327	3.1720	2.6349	4.6096	5.0663	5.3653	4.8434	3.2320	3.4281	2.1737	1.1007	1.7784	1.7663

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C11	C9	124.900	C1	C11	C12	114.317
H2	C1	H3	107.866	H2	C1	H4	107.866
H2	C1	C11	113.215	H3	C1	H4	106.669
H3	C1	C11	110.481	H4	C1	C11	110.481
C5	C9	H10	114.424	C5	C9	C11	128.356
H6	C5	H7	106.769	H6	C5	H8	107.739
H6	C5	C9	110.678	H7	C5	H8	107.739
H7	C5	C9	110.678	H8	C5	C9	112.979
C9	C11	C12	120.783	H10	C9	C11	117.220
C11	C12	H13	111.773	C11	C12	H14	110.993
C11	C12	H15	110.993	H13	C12	H14	108.088
H13	C12	H15	108.088	H14	C12	H15	106.705

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

using model chemistry: B3LYP/SDD

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	-0.734
2	H	0.210
3	H	0.202
4	H	0.202
5	C	-0.676
6	H	0.206
7	H	0.206
8	H	0.203
9	C	-0.297
10	H	0.197
11	C	0.404
12	C	-0.731
13	H	0.210
14	H	0.198
15	H	0.198

	x	y	z	Total
	-0.210	0.110	0.000	0.237
CHELPG
AIM
ESP

	x	y	z
x	10.381	-0.951	-0.003
y	-0.951	7.764	0.000
z	-0.003	0.000	5.727

<r²>	153.009
(<r²>)^1/2	12.370

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

using model chemistry: B3LYP/SDD

States and conformations

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