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	hartrees
Energy at 0K	-196.574198
Energy at 298.15K	-196.583952
HF Energy	-196.574198
Nuclear repulsion energy	173.865417

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3139	3021	74.05
2	A'	3133	3016	24.49
3	A'	3120	3003	4.92
4	A'	3117	3000	22.34
5	A'	3026	2912	13.87
6	A'	3023	2910	96.96
7	A'	3017	2904	33.22
8	A'	1736	1671	1.75
9	A'	1516	1459	12.51
10	A'	1513	1457	1.51
11	A'	1499	1443	1.78
12	A'	1433	1379	0.68
13	A'	1425	1371	0.75
14	A'	1420	1366	6.26
15	A'	1373	1322	3.96
16	A'	1236	1190	5.20
17	A'	1131	1089	9.67
18	A'	1068	1028	4.11
19	A'	966	930	2.49
20	A'	956	921	1.98
21	A'	769	741	1.58
22	A'	517	497	1.91
23	A'	369	355	0.25
24	A'	289	278	0.24
25	A"	3070	2955	21.70
26	A"	3069	2954	48.68
27	A"	3067	2952	13.11
28	A"	1509	1452	18.66
29	A"	1502	1445	1.64
30	A"	1490	1434	0.69
31	A"	1102	1060	0.47
32	A"	1059	1019	2.08
33	A"	1016	978	3.36
34	A"	824	793	14.93
35	A"	442	426	3.38
36	A"	260	250	2.18
37	A"	184	177	1.54
38	A"	144	139	0.05
39	A"	120	116	1.01

Atom	x (Å)	y (Å)	z (Å)
C1	-1.511	0.487	0.000
H2	-1.964	-0.507	0.000
H3	-1.880	1.029	0.881
H4	-1.880	1.029	-0.881
C5	0.276	-2.102	0.000
H6	0.660	-2.632	-0.881
H7	0.660	-2.632	0.881
H8	-0.813	-2.195	0.000
C9	0.744	-0.670	0.000
H10	1.829	-0.552	0.000
C11	0.000	0.452	0.000
C12	0.650	1.819	0.000
H13	1.742	1.747	0.000
H14	0.344	2.398	0.881
H15	0.344	2.398	-0.881

	C1	H2	H3	H4	C5	H6	H7	H8	C9	H10	C11	C12	H13	H14	H15
C1		1.0922	1.0978	1.0978	3.1462	3.9014	3.9014	2.7721	2.5349	3.4988	1.5116	2.5387	3.4886	2.8054	2.8054
H2	1.0922		1.7719	1.7719	2.7499	3.4895	3.4895	2.0436	2.7127	3.7935	2.1852	3.4988	4.3373	3.8134	3.8134
H3	1.0978	1.7719		1.7617	3.9021	4.7914	4.4558	3.5084	3.2479	4.1279	2.1552	2.7939	3.7967	2.6126	3.1512
H4	1.0978	1.7719	1.7617		3.9021	4.4558	4.7914	3.5084	3.2479	4.1279	2.1552	2.7939	3.7967	3.1512	2.6126
C5	3.1462	2.7499	3.9021	3.9021		1.0974	1.0974	1.0929	1.5062	2.1938	2.5684	3.9383	4.1184	4.5859	4.5859
H6	3.9014	3.4895	4.7914	4.4558	1.0974		1.7615	1.7704	2.1526	2.5437	3.2745	4.5374	4.5963	5.3395	5.0404
H7	3.9014	3.4895	4.4558	4.7914	1.0974	1.7615		1.7704	2.1526	2.5437	3.2745	4.5374	4.5963	5.0404	5.3395
H8	2.7721	2.0436	3.5084	3.5084	1.0929	1.7704	1.7704		2.1793	3.1112	2.7689	4.2723	4.6976	4.8181	4.8181
C9	2.5349	2.7127	3.2479	3.2479	1.5062	2.1526	2.1526	2.1793		1.0918	1.3461	2.4906	2.6150	3.2171	3.2171
H10	3.4988	3.7935	4.1279	4.1279	2.1938	2.5437	2.5437	3.1112	1.0918		2.0870	2.6482	2.3011	3.4188	3.4188
C11	1.5116	2.1852	2.1552	2.1552	2.5684	3.2745	3.2745	2.7689	1.3461	2.0870		1.5139	2.1709	2.1641	2.1641
C12	2.5387	3.4988	2.7939	2.7939	3.9383	4.5374	4.5374	4.2723	2.4906	2.6482	1.5139		1.0940	1.0981	1.0981
H13	3.4886	4.3373	3.7967	3.7967	4.1184	4.5963	4.5963	4.6976	2.6150	2.3011	2.1709	1.0940		1.7759	1.7759
H14	2.8054	3.8134	2.6126	3.1512	4.5859	5.3395	5.0404	4.8181	3.2171	3.4188	2.1641	1.0981	1.7759		1.7622
H15	2.8054	3.8134	3.1512	2.6126	4.5859	5.0404	5.3395	4.8181	3.2171	3.4188	2.1641	1.0981	1.7759	1.7622

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C11	C9	124.907	C1	C11	C12	114.094
H2	C1	H3	108.014	H2	C1	H4	108.014
H2	C1	C11	113.127	H3	C1	H4	106.722
H3	C1	C11	110.359	H4	C1	C11	110.359
C5	C9	H10	114.275	C5	C9	C11	128.351
H6	C5	H7	106.762	H6	C5	H8	107.859
H6	C5	C9	110.557	H7	C5	H8	107.859
H7	C5	C9	110.557	H8	C5	C9	112.998
C9	C11	C12	120.999	H10	C9	C11	117.374
C11	C12	H13	111.686	C11	C12	H14	110.899
C11	C12	H15	110.899	H13	C12	H14	108.224
H13	C12	H15	108.224	H14	C12	H15	106.724

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

using model chemistry: TPSSh/6-31+G**

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	-0.680
2	H	0.145
3	H	0.159
4	H	0.159
5	C	-0.687
6	H	0.161
7	H	0.161
8	H	0.144
9	C	-0.073
10	H	0.131
11	C	0.528
12	C	-0.615
13	H	0.155
14	H	0.156
15	H	0.156

	x	y	z	Total
	-0.196	0.048	0.000	0.202
CHELPG
AIM
ESP

	x	y	z
x	9.163	-1.133	0.000
y	-1.133	11.489	0.000
z	0.000	0.000	6.962

<r²>	151.907
(<r²>)^1/2	12.325

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

using model chemistry: TPSSh/6-31+G**

States and conformations

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