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	hartrees
Energy at 0K	-196.540944
Energy at 298.15K	-196.550775
Nuclear repulsion energy	174.946887

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3136	3016	45.10
2	A	3129	3009	24.73
3	A	3115	2995	9.62
4	A	3112	2993	9.55
5	A	3022	2906	10.44
6	A	3020	2904	70.95
7	A	3013	2897	26.64
8	A	1749	1682	1.79
9	A	1491	1433	12.37
10	A	1489	1431	1.90
11	A	1473	1416	1.84
12	A	1413	1359	2.00
13	A	1410	1356	3.69
14	A	1403	1349	7.37
15	A	1365	1313	2.01
16	A	1239	1192	4.54
17	A	1132	1089	11.25
18	A	1067	1026	6.53
19	A	967	930	3.38
20	A	956	919	1.20
21	A	778	748	1.63
22	A	525	505	2.13
23	A	378	364	0.53
24	A	296	285	0.25
25	A	3065	2947	18.62
26	A	3064	2946	30.37
27	A	3060	2943	15.61
28	A	1482	1425	18.53
29	A	1474	1418	1.92
30	A	1463	1407	0.76
31	A	1097	1055	0.08
32	A	1058	1017	1.31
33	A	1011	973	2.76
34	A	830	798	12.18
35	A	455	438	3.21
36	A	263	253	1.99
37	A	185	178	1.13
38	A	144	139	0.07
39	A	124	120	0.62

Atom	x (Å)	y (Å)	z (Å)
C1	-1.499	0.487	0.000
H2	-1.956	-0.501	0.000
H3	-1.869	1.029	0.876
H4	-1.869	1.029	-0.876
C5	0.267	-2.084	0.000
H6	0.648	-2.619	-0.876
H7	0.648	-2.619	0.876
H8	-0.817	-2.180	0.000
C9	0.734	-0.666	0.000
H10	1.815	-0.542	0.000
C11	0.000	0.449	0.000
C12	0.655	1.800	0.000
H13	1.743	1.722	0.000
H14	0.355	2.383	0.877
H15	0.355	2.383	-0.877

	C1	H2	H3	H4	C5	H6	H7	H8	C9	H10	C11	C12	H13	H14	H15
C1		1.0882	1.0948	1.0948	3.1193	3.8756	3.8756	2.7520	2.5125	3.4697	1.4993	2.5227	3.4692	2.7924	2.7924
H2	1.0882		1.7649	1.7649	2.7297	3.4690	3.4690	2.0285	2.6949	3.7711	2.1744	3.4800	4.3155	3.7974	3.7974
H3	1.0948	1.7649		1.7525	3.8761	4.7656	4.4317	3.4882	3.2270	4.0994	2.1440	2.7810	3.7808	2.6032	3.1384
H4	1.0948	1.7649	1.7525		3.8761	4.4317	4.7656	3.4882	3.2270	4.0994	2.1440	2.7810	3.7808	3.1384	2.6032
C5	3.1193	2.7297	3.8761	3.8761		1.0945	1.0945	1.0891	1.4935	2.1851	2.5476	3.9032	4.0825	4.5530	4.5530
H6	3.8756	3.4690	4.7656	4.4317	1.0945		1.7522	1.7629	2.1425	2.5385	3.2558	4.5043	4.5619	5.3077	5.0100
H7	3.8756	3.4690	4.4317	4.7656	1.0945	1.7522		1.7629	2.1425	2.5385	3.2558	4.5043	4.5619	5.0100	5.3077
H8	2.7520	2.0285	3.4882	3.4882	1.0891	1.7629	1.7629		2.1677	3.1005	2.7530	4.2430	4.6669	4.7912	4.7912
C9	2.5125	2.6949	3.2270	3.2270	1.4935	2.1425	2.1425	2.1677		1.0882	1.3347	2.4663	2.5922	3.1943	3.1943
H10	3.4697	3.7711	4.0994	4.0994	2.1851	2.5385	2.5385	3.1005	1.0882		2.0678	2.6125	2.2650	3.3841	3.3841
C11	1.4993	2.1744	2.1440	2.1440	2.5476	3.2558	3.2558	2.7530	1.3347	2.0678		1.5010	2.1584	2.1523	2.1523
C12	2.5227	3.4800	2.7810	2.7810	3.9032	4.5043	4.5043	4.2430	2.4663	2.6125	1.5010		1.0903	1.0951	1.0951
H13	3.4692	4.3155	3.7808	3.7808	4.0825	4.5619	4.5619	4.6669	2.5922	2.2650	2.1584	1.0903		1.7699	1.7699
H14	2.7924	3.7974	2.6032	3.1384	4.5530	5.3077	5.0100	4.7912	3.1943	3.3841	2.1523	1.0951	1.7699		1.7534
H15	2.7924	3.7974	3.1384	2.6032	4.5530	5.0100	5.3077	4.7912	3.1943	3.3841	2.1523	1.0951	1.7699	1.7534

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C11	C9	124.794	C1	C11	C12	114.458
H2	C1	H3	107.898	H2	C1	H4	107.898
H2	C1	C11	113.405	H3	C1	H4	106.326
H3	C1	C11	110.509	H4	C1	C11	110.509
C5	C9	H10	114.737	C5	C9	C11	128.444
H6	C5	H7	106.345	H6	C5	H8	107.672
H6	C5	C9	110.814	H7	C5	H8	107.672
H7	C5	C9	110.814	H8	C5	C9	113.216
C9	C11	C12	120.748	H10	C9	C11	116.819
C11	C12	H13	111.828	C11	C12	H14	111.041
C11	C12	H15	111.041	H13	C12	H14	108.169
H13	C12	H15	108.169	H14	C12	H15	106.377

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

using model chemistry: B3PW91/cc-pVTZ

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	-0.261
2	H	0.090
3	H	0.090
4	H	0.090
5	C	-0.259
6	H	0.094
7	H	0.094
8	H	0.087
9	C	-0.162
10	H	0.098
11	C	0.032
12	C	-0.253
13	H	0.087
14	H	0.086
15	H	0.086

<r²>	150.011
(<r²>)^1/2	12.248

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

using model chemistry: B3PW91/cc-pVTZ

States and conformations

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