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	hartrees
Energy at 0K	-196.614789
Energy at 298.15K	-196.624610
HF Energy	-196.614789
Nuclear repulsion energy	174.471414

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3130	3021	55.54
2	A	3122	3014	22.37
3	A	3107	2999	2.86
4	A	3102	2995	19.13
5	A	3018	2914	8.51
6	A	3016	2911	81.08
7	A	3008	2904	25.68
8	A	1738	1678	1.68
9	A	1503	1451	13.62
10	A	1501	1449	1.83
11	A	1486	1435	2.00
12	A	1428	1379	1.17
13	A	1420	1371	2.10
14	A	1414	1366	7.97
15	A	1379	1331	2.49
16	A	1234	1192	4.61
17	A	1130	1091	10.48
18	A	1070	1033	4.38
19	A	969	936	1.91
20	A	958	925	2.55
21	A	771	744	1.46
22	A	529	510	1.76
23	A	386	372	0.36
24	A	300	289	0.22
25	A	3053	2947	23.15
26	A	3052	2946	38.61
27	A	3048	2942	13.50
28	A	1495	1443	21.05
29	A	1488	1437	2.15
30	A	1476	1425	0.98
31	A	1106	1068	0.02
32	A	1067	1030	1.90
33	A	1020	984	2.81
34	A	835	806	13.57
35	A	455	439	3.57
36	A	263	254	2.01
37	A	183	176	1.35
38	A	139	134	0.05
39	A	119	114	0.81

Atom	x (Å)	y (Å)	z (Å)
C1	-1.507	0.481	0.000
H2	-1.958	-0.510	0.000
H3	-1.877	1.019	0.878
H4	-1.877	1.019	-0.878
C5	0.280	-2.093	0.000
H6	0.665	-2.621	-0.878
H7	0.665	-2.621	0.878
H8	-0.804	-2.194	0.000
C9	0.741	-0.663	0.000
H10	1.822	-0.542	0.000
C11	0.000	0.448	0.000
C12	0.645	1.813	0.000
H13	1.734	1.746	0.000
H14	0.339	2.391	0.879
H15	0.339	2.391	-0.879

	C1	H2	H3	H4	C5	H6	H7	H8	C9	H10	C11	C12	H13	H14	H15
C1		1.0886	1.0947	1.0947	3.1335	3.8867	3.8867	2.7653	2.5220	3.4828	1.5075	2.5313	3.4790	2.7980	2.7980
H2	1.0886		1.7655	1.7655	2.7417	3.4792	3.4792	2.0411	2.7032	3.7804	2.1801	3.4893	4.3266	3.8032	3.8032
H3	1.0947	1.7655		1.7567	3.8873	4.7744	4.4395	3.4994	3.2332	4.1101	2.1496	2.7862	3.7864	2.6062	3.1432
H4	1.0947	1.7655	1.7567		3.8873	4.4395	4.7744	3.4994	3.2332	4.1101	2.1496	2.7862	3.7864	3.1432	2.6062
C5	3.1335	2.7417	3.8873	3.8873		1.0943	1.0943	1.0895	1.5022	2.1866	2.5565	3.9231	4.1046	4.5690	4.5690
H6	3.8867	3.4792	4.7744	4.4395	1.0943		1.7566	1.7639	2.1472	2.5362	3.2606	4.5203	4.5807	5.3204	5.0219
H7	3.8867	3.4792	4.4395	4.7744	1.0943	1.7566		1.7639	2.1472	2.5362	3.2606	4.5203	4.5807	5.0219	5.3204
H8	2.7653	2.0411	3.4994	3.4994	1.0895	1.7639	1.7639		2.1750	3.1026	2.7617	4.2611	4.6864	4.8058	4.8058
C9	2.5220	2.7032	3.2332	3.2332	1.5022	2.1472	2.1472	2.1750		1.0881	1.3353	2.4780	2.6054	3.2026	3.2026
H10	3.4828	3.7804	4.1101	4.1101	2.1866	2.5362	2.5362	3.1026	1.0881		2.0738	2.6332	2.2898	3.4017	3.4017
C11	1.5075	2.1801	2.1496	2.1496	2.5565	3.2606	3.2606	2.7617	1.3353	2.0738		1.5098	2.1655	2.1586	2.1586
C12	2.5313	3.4893	2.7862	2.7862	3.9231	4.5203	4.5203	4.2611	2.4780	2.6332	1.5098		1.0907	1.0949	1.0949
H13	3.4790	4.3266	3.7864	3.7864	4.1046	4.5807	4.5807	4.6864	2.6054	2.2898	2.1655	1.0907		1.7697	1.7697
H14	2.7980	3.8032	2.6062	3.1432	4.5690	5.3204	5.0219	4.8058	3.2026	3.4017	2.1586	1.0949	1.7697		1.7574
H15	2.7980	3.8032	3.1432	2.6062	4.5690	5.0219	5.3204	4.8058	3.2026	3.4017	2.1586	1.0949	1.7697	1.7574

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C11	C9	124.921	C1	C11	C12	114.056
H2	C1	H3	107.925	H2	C1	H4	107.925
H2	C1	C11	113.241	H3	C1	H4	106.713
H3	C1	C11	110.391	H4	C1	C11	110.391
C5	C9	H10	114.210	C5	C9	C11	128.474
H6	C5	H7	106.753	H6	C5	H8	107.740
H6	C5	C9	110.594	H7	C5	H8	107.740
H7	C5	C9	110.594	H8	C5	C9	113.155
C9	C11	C12	121.023	H10	C9	C11	117.316
C11	C12	H13	111.749	C11	C12	H14	110.939
C11	C12	H15	110.939	H13	C12	H14	108.139
H13	C12	H15	108.139	H14	C12	H15	106.744

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

using model chemistry: B3LYP/TZVP

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	-0.358
2	H	0.116
3	H	0.121
4	H	0.121
5	C	-0.373
6	H	0.122
7	H	0.122
8	H	0.116
9	C	-0.081
10	H	0.106
11	C	-0.002
12	C	-0.361
13	H	0.119
14	H	0.117
15	H	0.117

	x	y	z	Total
	-0.195	0.044	0.000	0.200
CHELPG
AIM
ESP

	x	y	z
x	9.226	-1.165	0.000
y	-1.165	11.604	0.000
z	0.000	0.000	7.027

<r²>	151.225
(<r²>)^1/2	12.297

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

using model chemistry: B3LYP/TZVP

States and conformations

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