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	hartrees
Energy at 0K	-196.575916
Energy at 298.15K	-196.585704
HF Energy	-196.575916
Nuclear repulsion energy	174.155016

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3129	3019	67.09
2	A'	3123	3013	22.15
3	A'	3110	3001	6.05
4	A'	3108	2999	18.42
5	A'	3016	2910	9.01
6	A'	3013	2908	84.82
7	A'	3007	2902	27.85
8	A'	1742	1681	1.16
9	A'	1510	1457	7.81
10	A'	1507	1455	0.67
11	A'	1493	1440	0.96
12	A'	1426	1376	0.44
13	A'	1415	1366	0.13
14	A'	1411	1361	3.76
15	A'	1369	1321	4.83
16	A'	1234	1191	5.30
17	A'	1131	1092	9.84
18	A'	1066	1028	4.73
19	A'	964	931	2.10
20	A'	954	921	1.63
21	A'	769	742	1.41
22	A'	516	498	2.12
23	A'	364	351	0.33
24	A'	288	278	0.31
25	A"	3059	2952	35.90
26	A"	3058	2951	38.17
27	A"	3055	2948	10.25
28	A"	1501	1448	12.76
29	A"	1493	1441	0.79
30	A"	1482	1430	0.35
31	A"	1102	1063	0.00
32	A"	1059	1022	1.26
33	A"	1019	983	1.89
34	A"	829	800	8.75
35	A"	448	432	1.72
36	A"	260	251	1.34
37	A"	188	181	0.96
38	A"	150	145	0.04
39	A"	130	125	0.60

Atom	x (Å)	y (Å)	z (Å)
C1	-1.507	0.488	0.000
H2	-1.962	-0.505	0.000
H3	-1.879	1.030	0.879
H4	-1.879	1.030	-0.879
C5	0.270	-2.093	0.000
H6	0.651	-2.628	-0.879
H7	0.651	-2.628	0.879
H8	-0.819	-2.186	0.000
C9	0.738	-0.667	0.000
H10	1.822	-0.547	0.000
C11	0.000	0.451	0.000
C12	0.658	1.808	0.000
H13	1.749	1.730	0.000
H14	0.357	2.394	0.879
H15	0.357	2.394	-0.879

	C1	H2	H3	H4	C5	H6	H7	H8	C9	H10	C11	C12	H13	H14	H15
C1		1.0920	1.0982	1.0982	3.1331	3.8909	3.8909	2.7610	2.5245	3.4861	1.5073	2.5359	3.4845	2.8070	2.8070
H2	1.0920		1.7710	1.7710	2.7386	3.4797	3.4797	2.0326	2.7046	3.7841	2.1821	3.4949	4.3314	3.8146	3.8146
H3	1.0982	1.7710		1.7585	3.8918	4.7833	4.4483	3.4989	3.2412	4.1186	2.1543	2.7959	3.7983	2.6192	3.1549
H4	1.0982	1.7710	1.7585		3.8918	4.4483	4.7833	3.4989	3.2412	4.1186	2.1543	2.7959	3.7983	3.1549	2.6192
C5	3.1331	2.7386	3.8918	3.8918		1.0979	1.0979	1.0928	1.5011	2.1913	2.5581	3.9209	4.0990	4.5731	4.5731
H6	3.8909	3.4797	4.7833	4.4483	1.0979		1.7588	1.7695	2.1510	2.5448	3.2676	4.5229	4.5791	5.3291	5.0304
H7	3.8909	3.4797	4.4483	4.7833	1.0979	1.7588		1.7695	2.1510	2.5448	3.2676	4.5229	4.5791	5.0304	5.3291
H8	2.7610	2.0326	3.4989	3.4989	1.0928	1.7695	1.7695		2.1757	3.1089	2.7614	4.2591	4.6829	4.8097	4.8097
C9	2.5245	2.7046	3.2412	3.2412	1.5011	2.1510	2.1510	2.1757		1.0907	1.3395	2.4768	2.6011	3.2074	3.2074
H10	3.4861	3.7841	4.1186	4.1186	2.1913	2.5448	2.5448	3.1089	1.0907		2.0775	2.6274	2.2777	3.4012	3.4012
C11	1.5073	2.1821	2.1543	2.1543	2.5581	3.2676	3.2676	2.7614	1.3395	2.0775		1.5087	2.1665	2.1624	2.1624
C12	2.5359	3.4949	2.7959	2.7959	3.9209	4.5229	4.5229	4.2591	2.4768	2.6274	1.5087		1.0937	1.0985	1.0985
H13	3.4845	4.3314	3.7983	3.7983	4.0990	4.5791	4.5791	4.6829	2.6011	2.2777	2.1665	1.0937		1.7755	1.7755
H14	2.8070	3.8146	2.6192	3.1549	4.5731	5.3291	5.0304	4.8097	3.2074	3.4012	2.1624	1.0985	1.7755		1.7590
H15	2.8070	3.8146	3.1549	2.6192	4.5731	5.0304	5.3291	4.8097	3.2074	3.4012	2.1624	1.0985	1.7755	1.7590

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C11	C9	124.843	C1	C11	C12	114.450
H2	C1	H3	107.920	H2	C1	H4	107.920
H2	C1	C11	113.207	H3	C1	H4	106.377
H3	C1	C11	110.567	H4	C1	C11	110.567
C5	C9	H10	114.513	C5	C9	C11	128.374
H6	C5	H7	106.457	H6	C5	H8	107.753
H6	C5	C9	110.756	H7	C5	H8	107.753
H7	C5	C9	110.756	H8	C5	C9	113.079
C9	C11	C12	120.708	H10	C9	C11	117.113
C11	C12	H13	111.722	C11	C12	H14	111.092
C11	C12	H15	111.092	H13	C12	H14	108.170
H13	C12	H15	108.170	H14	C12	H15	106.380

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

using model chemistry: TPSSh/6-31G(2df,p)

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: TPSSh/6-31G(2df,p)

States and conformations

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