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	hartrees
Energy at 0K	-196.560815
Energy at 298.15K	-196.570683
Nuclear repulsion energy	175.212763

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3154	3026	43.69
2	A	3147	3019	24.28
3	A	3133	3005	9.01
4	A	3130	3003	9.95
5	A	3040	2916	12.39
6	A	3037	2913	65.80
7	A	3030	2906	25.91
8	A	1765	1693	1.83
9	A	1498	1437	12.64
10	A	1496	1435	1.90
11	A	1480	1419	1.88
12	A	1421	1363	3.31
13	A	1419	1361	3.28
14	A	1411	1353	7.14
15	A	1371	1315	1.89
16	A	1248	1197	4.37
17	A	1140	1094	10.86
18	A	1073	1029	6.77
19	A	974	934	3.51
20	A	961	922	1.03
21	A	784	752	1.67
22	A	528	506	2.17
23	A	379	364	0.53
24	A	298	286	0.26
25	A	3084	2958	18.10
26	A	3083	2957	29.82
27	A	3079	2953	14.92
28	A	1489	1428	19.04
29	A	1482	1421	1.81
30	A	1470	1410	0.79
31	A	1104	1059	0.10
32	A	1064	1020	1.38
33	A	1017	975	2.78
34	A	834	800	12.13
35	A	458	439	3.23
36	A	266	255	1.95
37	A	188	180	1.17
38	A	147	141	0.09
39	A	127	122	0.61

Atom	x (Å)	y (Å)	z (Å)
C1	-1.497	0.484	0.000
H2	-1.952	-0.503	0.000
H3	-1.866	1.025	0.875
H4	-1.866	1.025	-0.875
C5	0.268	-2.081	0.000
H6	0.648	-2.614	-0.875
H7	0.648	-2.614	0.875
H8	-0.815	-2.175	0.000
C9	0.734	-0.664	0.000
H10	1.814	-0.538	0.000
C11	0.000	0.448	0.000
C12	0.652	1.798	0.000
H13	1.739	1.722	0.000
H14	0.350	2.379	0.876
H15	0.350	2.379	-0.876

	C1	H2	H3	H4	C5	H6	H7	H8	C9	H10	C11	C12	H13	H14	H15
C1		1.0869	1.0935	1.0935	3.1133	3.8684	3.8684	2.7448	2.5087	3.4647	1.4971	2.5187	3.4639	2.7873	2.7873
H2	1.0869		1.7632	1.7632	2.7238	3.4618	3.4618	2.0217	2.6910	3.7659	2.1714	3.4749	4.3092	3.7911	3.7911
H3	1.0935	1.7632		1.7505	3.8690	4.7572	4.4235	3.4802	3.2219	4.0931	2.1404	2.7758	3.7742	2.5970	3.1322
H4	1.0935	1.7632	1.7505		3.8690	4.4235	4.7572	3.4802	3.2219	4.0931	2.1404	2.7758	3.7742	3.1322	2.5970
C5	3.1133	2.7238	3.8690	3.8690		1.0930	1.0930	1.0878	1.4916	2.1833	2.5431	3.8972	4.0766	4.5455	4.5455
H6	3.8684	3.4618	4.7572	4.4235	1.0930		1.7503	1.7610	2.1394	2.5362	3.2503	4.4976	4.5555	5.2995	5.0019
H7	3.8684	3.4618	4.4235	4.7572	1.0930	1.7503		1.7610	2.1394	2.5362	3.2503	4.4976	4.5555	5.0019	5.2995
H8	2.7448	2.0217	3.4802	3.4802	1.0878	1.7610	1.7610		2.1645	3.0968	2.7470	4.2349	4.6589	4.7815	4.7815
C9	2.5087	2.6910	3.2219	3.2219	1.4916	2.1394	2.1394	2.1645		1.0868	1.3325	2.4626	2.5881	3.1893	3.1893
H10	3.4647	3.7659	4.0931	4.0931	2.1833	2.5362	2.5362	3.0968	1.0868		2.0648	2.6089	2.2613	3.3794	3.3794
C11	1.4971	2.1714	2.1404	2.1404	2.5431	3.2503	3.2503	2.7470	1.3325	2.0648		1.4987	2.1550	2.1487	2.1487
C12	2.5187	3.4749	2.7758	2.7758	3.8972	4.4976	4.4976	4.2349	2.4626	2.6089	1.4987		1.0890	1.0937	1.0937
H13	3.4639	4.3092	3.7742	3.7742	4.0766	4.5555	4.5555	4.6589	2.5881	2.2613	2.1550	1.0890		1.7682	1.7682
H14	2.7873	3.7911	2.5970	3.1322	4.5455	5.2995	5.0019	4.7815	3.1893	3.3794	2.1487	1.0937	1.7682		1.7515
H15	2.7873	3.7911	3.1322	2.5970	4.5455	5.0019	5.2995	4.7815	3.1893	3.3794	2.1487	1.0937	1.7682	1.7515

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C11	C9	124.800	C1	C11	C12	114.437
H2	C1	H3	107.939	H2	C1	H4	107.939
H2	C1	C11	113.402	H3	C1	H4	106.348
H3	C1	C11	110.460	H4	C1	C11	110.460
C5	C9	H10	114.815	C5	C9	C11	128.366
H6	C5	H7	106.383	H6	C5	H8	107.698
H6	C5	C9	110.796	H7	C5	H8	107.698
H7	C5	C9	110.796	H8	C5	C9	113.170
C9	C11	C12	120.763	H10	C9	C11	116.819
C11	C12	H13	111.801	C11	C12	H14	110.999
C11	C12	H15	110.999	H13	C12	H14	108.215
H13	C12	H15	108.215	H14	C12	H15	106.403

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

using model chemistry: mPW1PW91/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	-0.247
2	H	0.086
3	H	0.087
4	H	0.087
5	C	-0.248
6	H	0.091
7	H	0.091
8	H	0.084
9	C	-0.153
10	H	0.091
11	C	0.023
12	C	-0.239
13	H	0.082
14	H	0.083
15	H	0.083

	x	y	z	Total
	-0.201	0.054	0.000	0.208
CHELPG
AIM
ESP

	x	y	z
x	9.230	-0.968	0.000
y	-0.968	11.554	0.000
z	0.000	0.000	6.800

<r²>	149.578
(<r²>)^1/2	12.230

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

using model chemistry: mPW1PW91/cc-pVTZ

States and conformations

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