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	hartrees
Energy at 0K	-195.424132
Energy at 298.15K	-195.434042
Nuclear repulsion energy	174.301668

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3178	3034	40.78
2	A	3169	3025	16.16
3	A	3154	3011	4.60
4	A	3148	3006	12.81
5	A	3060	2921	6.50
6	A	3057	2919	51.74
7	A	3051	2912	19.19
8	A	1775	1695	0.77
9	A	1566	1495	16.77
10	A	1560	1489	3.63
11	A	1547	1477	2.98
12	A	1474	1407	5.30
13	A	1463	1397	9.49
14	A	1450	1384	9.92
15	A	1422	1358	2.91
16	A	1254	1197	5.63
17	A	1156	1103	12.17
18	A	1098	1049	9.36
19	A	994	949	1.73
20	A	979	935	3.33
21	A	777	742	2.29
22	A	537	513	2.70
23	A	384	367	0.61
24	A	309	295	0.22
25	A	3108	2967	41.93
26	A	3106	2965	11.36
27	A	3104	2963	4.86
28	A	1563	1492	28.58
29	A	1557	1486	1.92
30	A	1541	1471	1.32
31	A	1144	1092	3.98
32	A	1104	1054	0.02
33	A	1056	1008	2.82
34	A	852	813	19.65
35	A	448	428	4.79
36	A	264	252	2.39
37	A	189	181	1.69
38	A	155	148	0.09
39	A	118	112	1.07

Atom	x (Å)	y (Å)	z (Å)
C1	-1.509	0.468	0.000
H2	-1.947	-0.532	0.000
H3	-1.877	1.005	0.884
H4	-1.877	1.005	-0.884
C5	0.289	-2.088	0.000
H6	0.670	-2.617	-0.883
H7	0.670	-2.617	0.883
H8	-0.800	-2.173	0.000
C9	0.754	-0.658	0.000
H10	1.836	-0.531	0.000
C11	0.000	0.446	0.000
C12	0.630	1.820	0.000
H13	1.722	1.760	0.000
H14	0.313	2.388	0.884
H15	0.313	2.388	-0.884

	C1	H2	H3	H4	C5	H6	H7	H8	C9	H10	C11	C12	H13	H14	H15
C1		1.0913	1.0977	1.0977	3.1252	3.8788	3.8788	2.7347	2.5279	3.4911	1.5095	2.5310	3.4801	2.7912	2.7912
H2	1.0913		1.7742	1.7742	2.7244	3.4610	3.4610	2.0028	2.7042	3.7832	2.1789	3.4892	4.3262	3.7970	3.7970
H3	1.0977	1.7742		1.7676	3.8782	4.7674	4.4280	3.4703	3.2356	4.1141	2.1488	2.7804	3.7821	2.5902	3.1361
H4	1.0977	1.7742	1.7676		3.8782	4.4280	4.7674	3.4703	3.2356	4.1141	2.1488	2.7804	3.7821	3.1361	2.5902
C5	3.1252	2.7244	3.8782	3.8782		1.0975	1.0975	1.0920	1.5041	2.1954	2.5506	3.9238	4.1068	4.5635	4.5635
H6	3.8788	3.4610	4.7674	4.4280	1.0975		1.7659	1.7714	2.1502	2.5475	3.2571	4.5246	4.5874	5.3203	5.0182
H7	3.8788	3.4610	4.4280	4.7674	1.0975	1.7659		1.7714	2.1502	2.5475	3.2571	4.5246	4.5874	5.0182	5.3203
H8	2.7347	2.0028	3.4703	3.4703	1.0920	1.7714	1.7714		2.1704	3.1057	2.7386	4.2421	4.6725	4.7781	4.7781
C9	2.5279	2.7042	3.2356	3.2356	1.5041	2.1502	2.1502	2.1704		1.0894	1.3368	2.4818	2.6048	3.2029	3.2029
H10	3.4911	3.7832	4.1141	4.1141	2.1954	2.5475	2.5475	3.1057	1.0894		2.0795	2.6427	2.2939	3.4096	3.4096
C11	1.5095	2.1789	2.1488	2.1488	2.5506	3.2571	3.2571	2.7386	1.3368	2.0795		1.5121	2.1662	2.1573	2.1573
C12	2.5310	3.4892	2.7804	2.7804	3.9238	4.5246	4.5246	4.2421	2.4818	2.6427	1.5121		1.0938	1.0978	1.0978
H13	3.4801	4.3262	3.7821	3.7821	4.1068	4.5874	4.5874	4.6725	2.6048	2.2939	2.1662	1.0938		1.7784	1.7784
H14	2.7912	3.7970	2.5902	3.1361	4.5635	5.3203	5.0182	4.7781	3.2029	3.4096	2.1573	1.0978	1.7784		1.7685
H15	2.7912	3.7970	3.1361	2.5902	4.5635	5.0182	5.3203	4.7781	3.2029	3.4096	2.1573	1.0978	1.7784	1.7685

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C11	C9	125.165	C1	C11	C12	113.778
H2	C1	H3	108.291	H2	C1	H4	108.291
H2	C1	C11	112.827	H3	C1	H4	107.248
H3	C1	C11	110.003	H4	C1	C11	110.003
C5	C9	H10	114.728	C5	C9	C11	127.648
H6	C5	H7	107.128	H6	C5	H8	108.009
H6	C5	C9	110.509	H7	C5	H8	108.009
H7	C5	C9	110.509	H8	C5	C9	112.481
C9	C11	C12	121.057	H10	C9	C11	117.624
C11	C12	H13	111.449	C11	C12	H14	110.493
C11	C12	H15	110.493	H13	C12	H14	108.481
H13	C12	H15	108.481	H14	C12	H15	107.319

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

using model chemistry: mPW1PW91/3-21G

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	-0.665
2	H	0.222
3	H	0.223
4	H	0.223
5	C	-0.682
6	H	0.225
7	H	0.225
8	H	0.221
9	C	-0.198
10	H	0.199
11	C	-0.001
12	C	-0.649
13	H	0.217
14	H	0.219
15	H	0.219

	x	y	z	Total
	-0.191	0.078	0.000	0.206
CHELPG
AIM
ESP

<r²>	150.500
(<r²>)^1/2	12.268

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

using model chemistry: mPW1PW91/3-21G

States and conformations

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