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	hartrees
Energy at 0K	-196.251385
Energy at 298.15K	-196.261093
HF Energy	-196.251385
Nuclear repulsion energy	173.340220

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3081	3030	42.34
2	A'	3074	3024	35.19
3	A'	3062	3011	17.92
4	A'	3057	3007	3.54
5	A'	2967	2918	9.75
6	A'	2964	2915	74.52
7	A'	2956	2907	29.32
8	A'	1711	1683	0.90
9	A'	1480	1456	9.52
10	A'	1479	1455	2.65
11	A'	1463	1439	1.33
12	A'	1401	1378	1.28
13	A'	1391	1368	1.38
14	A'	1388	1365	6.35
15	A'	1344	1322	3.29
16	A'	1217	1197	5.58
17	A'	1117	1099	9.97
18	A'	1050	1033	8.82
19	A'	955	939	3.17
20	A'	944	928	0.89
21	A'	765	752	2.11
22	A'	514	506	2.55
23	A'	374	368	0.43
24	A'	292	287	0.27
25	A"	3012	2963	27.20
26	A"	3011	2961	28.11
27	A"	3006	2957	18.44
28	A"	1471	1447	18.52
29	A"	1463	1439	1.82
30	A"	1451	1427	0.62
31	A"	1079	1061	1.11
32	A"	1032	1015	0.23
33	A"	994	978	2.05
34	A"	802	789	11.58
35	A"	438	431	2.17
36	A"	259	255	1.39
37	A"	183	180	1.44
38	A"	156	154	0.10
39	A"	128	126	0.82

Atom	x (Å)	y (Å)	z (Å)
C1	-1.513	0.496	0.000
H2	-1.975	-0.503	0.000
H3	-1.885	1.042	0.886
H4	-1.885	1.042	-0.886
C5	0.273	-2.108	0.000
H6	0.658	-2.645	-0.887
H7	0.658	-2.645	0.887
H8	-0.824	-2.203	0.000
C9	0.743	-0.675	0.000
H10	1.836	-0.560	0.000
C11	0.000	0.453	0.000
C12	0.656	1.819	0.000
H13	1.756	1.746	0.000
H14	0.352	2.407	0.887
H15	0.352	2.407	-0.887

	C1	H2	H3	H4	C5	H6	H7	H8	C9	H10	C11	C12	H13	H14	H15
C1		1.1006	1.1060	1.1060	3.1570	3.9190	3.9190	2.7855	2.5410	3.5116	1.5132	2.5408	3.4997	2.8133	2.8133
H2	1.1006		1.7835	1.7835	2.7624	3.5079	3.5079	2.0536	2.7232	3.8121	2.1945	3.5096	4.3567	3.8298	3.8298
H3	1.1060	1.7835		1.7727	3.9200	4.8170	4.4788	3.5278	3.2621	4.1480	2.1649	2.8016	3.8133	2.6206	3.1640
H4	1.1060	1.7835	1.7727		3.9200	4.4788	4.8170	3.5278	3.2621	4.1480	2.1649	2.8016	3.8133	3.1640	2.6206
C5	3.1570	2.7624	3.9200	3.9200		1.1057	1.1057	1.1013	1.5071	2.1992	2.5754	3.9454	4.1290	4.6012	4.6012
H6	3.9190	3.5079	4.8170	4.4788	1.1057		1.7735	1.7820	2.1615	2.5536	3.2889	4.5513	4.6122	5.3625	5.0608
H7	3.9190	3.5079	4.4788	4.8170	1.1057	1.7735		1.7820	2.1615	2.5536	3.2889	4.5513	4.6122	5.0608	5.3625
H8	2.7855	2.0536	3.5278	3.5278	1.1013	1.7820	1.7820		2.1881	3.1266	2.7813	4.2862	4.7173	4.8395	4.8395
C9	2.5410	2.7232	3.2621	3.2621	1.5071	2.1615	2.1615	2.1881		1.0999	1.3510	2.4961	2.6250	3.2308	3.2308
H10	3.5116	3.8121	4.1480	4.1480	2.1992	2.5536	2.5536	3.1266	1.0999		2.0977	2.6563	2.3079	3.4343	3.4343
C11	1.5132	2.1945	2.1649	2.1649	2.5754	3.2889	3.2889	2.7813	1.3510	2.0977		1.5155	2.1806	2.1740	2.1740
C12	2.5408	3.5096	2.8016	2.8016	3.9454	4.5513	4.5513	4.2862	2.4961	2.6563	1.5155		1.1023	1.1063	1.1063
H13	3.4997	4.3567	3.8133	3.8133	4.1290	4.6122	4.6122	4.7173	2.6250	2.3079	2.1806	1.1023		1.7873	1.7873
H14	2.8133	3.8298	2.6206	3.1640	4.6012	5.3625	5.0608	4.8395	3.2308	3.4343	2.1740	1.1063	1.7873		1.7732
H15	2.8133	3.8298	3.1640	2.6206	4.6012	5.0608	5.3625	4.8395	3.2308	3.4343	2.1740	1.1063	1.7873	1.7732

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C11	C9	124.948	C1	C11	C12	114.054
H2	C1	H3	107.857	H2	C1	H4	107.857
H2	C1	C11	113.251	H3	C1	H4	106.530
H3	C1	C11	110.534	H4	C1	C11	110.534
C5	C9	H10	114.133	C5	C9	C11	128.521
H6	C5	H7	106.644	H6	C5	H8	107.688
H6	C5	C9	110.709	H7	C5	H8	107.688
H7	C5	C9	110.709	H8	C5	C9	113.125
C9	C11	C12	120.998	H10	C9	C11	117.345
C11	C12	H13	111.850	C11	C12	H14	111.071
C11	C12	H15	111.071	H13	C12	H14	108.049
H13	C12	H15	108.049	H14	C12	H15	106.533

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

using model chemistry: PBEPBEultrafine/6-31G*

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	-0.557
2	H	0.165
3	H	0.165
4	H	0.165
5	C	-0.534
6	H	0.168
7	H	0.168
8	H	0.164
9	C	-0.157
10	H	0.120
11	C	0.199
12	C	-0.551
13	H	0.163
14	H	0.162
15	H	0.162

	x	y	z	Total
	-0.181	0.048	0.000	0.188
CHELPG
AIM
ESP

	x	y	z
x	8.413	-1.045	-0.001
y	-1.045	10.803	-0.001
z	-0.001	-0.001	5.816

<r²>	152.177
(<r²>)^1/2	12.336

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

using model chemistry: PBEPBEultrafine/6-31G*

States and conformations

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