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	hartrees
Energy at 0K	-194.500649
Energy at 298.15K	-194.510590
Nuclear repulsion energy	173.728705

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3226	3005	36.73
2	A	3208	2989	25.29
3	A	3196	2977	7.53
4	A	3185	2967	14.76
5	A	3117	2904	4.93
6	A	3112	2899	47.29
7	A	3105	2893	17.98
8	A	1820	1695	0.31
9	A	1621	1510	11.35
10	A	1617	1507	3.12
11	A	1607	1497	1.57
12	A	1532	1427	3.33
13	A	1519	1415	6.77
14	A	1507	1404	4.08
15	A	1470	1369	2.57
16	A	1279	1192	3.91
17	A	1184	1103	7.81
18	A	1123	1046	5.23
19	A	1015	945	1.17
20	A	988	921	1.98
21	A	773	720	1.66
22	A	546	508	2.01
23	A	399	372	0.34
24	A	316	294	0.17
25	A	3159	2943	59.15
26	A	3158	2942	9.16
27	A	3154	2938	0.73
28	A	1616	1506	20.45
29	A	1610	1500	0.95
30	A	1597	1488	1.31
31	A	1191	1110	0.93
32	A	1152	1073	0.39
33	A	1097	1022	2.39
34	A	884	823	16.40
35	A	463	431	4.10
36	A	267	249	2.00
37	A	184	172	0.99
38	A	138	128	0.33
39	A	100	93	0.37

Atom	x (Å)	y (Å)	z (Å)
C1	-1.522	0.471	0.000
H2	-1.958	-0.526	0.000
H3	-1.884	1.006	0.883
H4	-1.884	1.006	-0.883
C5	0.297	-2.103	0.000
H6	0.681	-2.622	-0.883
H7	0.681	-2.622	0.883
H8	-0.789	-2.192	0.000
C9	0.754	-0.655	0.000
H10	1.833	-0.531	0.000
C11	0.000	0.444	0.000
C12	0.632	1.831	0.000
H13	1.722	1.766	0.000
H14	0.317	2.394	0.884
H15	0.317	2.394	-0.884

	C1	H2	H3	H4	C5	H6	H7	H8	C9	H10	C11	C12	H13	H14	H15
C1		1.0886	1.0943	1.0943	3.1512	3.8984	3.8984	2.7624	2.5391	3.5015	1.5219	2.5471	3.4925	2.8029	2.8029
H2	1.0886		1.7700	1.7700	2.7513	3.4838	3.4838	2.0357	2.7151	3.7917	2.1854	3.5021	4.3357	3.8053	3.8053
H3	1.0943	1.7700		1.7666	3.8983	4.7811	4.4430	3.4940	3.2400	4.1183	2.1552	2.7912	3.7893	2.6015	3.1449
H4	1.0943	1.7700	1.7666		3.8983	4.4430	4.7811	3.4940	3.2400	4.1183	2.1552	2.7912	3.7893	3.1449	2.6015
C5	3.1512	2.7513	3.8983	3.8983		1.0939	1.0939	1.0891	1.5177	2.1983	2.5639	3.9477	4.1231	4.5822	4.5822
H6	3.8984	3.4838	4.7811	4.4430	1.0939		1.7653	1.7674	2.1569	2.5458	3.2626	4.5398	4.5958	5.3301	5.0288
H7	3.8984	3.4838	4.4430	4.7811	1.0939	1.7653		1.7674	2.1569	2.5458	3.2626	4.5398	4.5958	5.0288	5.3301
H8	2.7624	2.0357	3.4940	3.4940	1.0891	1.7674	1.7674		2.1776	3.1044	2.7520	4.2668	4.6877	4.7994	4.7994
C9	2.5391	2.7151	3.2400	3.2400	1.5177	2.1569	2.1569	2.1776		1.0868	1.3332	2.4893	2.6081	3.2045	3.2045
H10	3.5015	3.7917	4.1183	4.1183	2.1983	2.5458	2.5458	3.1044	1.0868		2.0766	2.6497	2.2999	3.4109	3.4109
C11	1.5219	2.1854	2.1552	2.1552	2.5639	3.2626	3.2626	2.7520	1.3332	2.0766		1.5240	2.1709	2.1637	2.1637
C12	2.5471	3.5021	2.7912	2.7912	3.9477	4.5398	4.5398	4.2668	2.4893	2.6497	1.5240		1.0916	1.0942	1.0942
H13	3.4925	4.3357	3.7893	3.7893	4.1231	4.5958	4.5958	4.6877	2.6081	2.2999	2.1709	1.0916		1.7745	1.7745
H14	2.8029	3.8053	2.6015	3.1449	4.5822	5.3301	5.0288	4.7994	3.2045	3.4109	2.1637	1.0942	1.7745		1.7676
H15	2.8029	3.8053	3.1449	2.6015	4.5822	5.0288	5.3301	4.7994	3.2045	3.4109	2.1637	1.0942	1.7745	1.7676

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C11	C9	125.447	C1	C11	C12	113.490
H2	C1	H3	108.359	H2	C1	H4	108.359
H2	C1	C11	112.629	H3	C1	H4	107.650
H3	C1	C11	109.851	H4	C1	C11	109.851
C5	C9	H10	114.118	C5	C9	C11	128.032
H6	C5	H7	107.586	H6	C5	H8	108.116
H6	C5	C9	110.304	H7	C5	H8	108.116
H7	C5	C9	110.304	H8	C5	C9	112.264
C9	C11	C12	121.063	H10	C9	C11	117.849
C11	C12	H13	111.118	C11	C12	H14	110.387
C11	C12	H15	110.387	H13	C12	H14	108.553
H13	C12	H15	108.553	H14	C12	H15	107.748

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

using model chemistry: CID/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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All results from a given calculation for C5H10 (2-Butene, 2-methyl-)

using model chemistry: CID/3-21G

States and conformations

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