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	hartrees
Energy at 0K	-196.617710
Energy at 298.15K	-196.627853
HF Energy	-196.617710
Nuclear repulsion energy	175.880953

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3204	3100	18.64
2	A	3127	3026	9.99
3	A	3102	3001	21.11
4	A	3094	2994	40.95
5	A	3089	2988	35.03
6	A	3057	2958	17.50
7	A	3054	2954	14.96
8	A	3029	2931	28.20
9	A	3015	2917	28.12
10	A	3000	2902	24.95
11	A	1706	1650	24.28
12	A	1509	1460	3.48
13	A	1502	1453	5.23
14	A	1497	1448	13.05
15	A	1488	1440	9.47
16	A	1477	1429	2.59
17	A	1450	1403	0.18
18	A	1412	1367	4.89
19	A	1409	1363	2.89
20	A	1352	1308	2.01
21	A	1312	1269	1.09
22	A	1274	1232	1.38
23	A	1119	1083	0.83
24	A	1097	1062	4.17
25	A	1051	1017	0.64
26	A	1017	984	0.19
27	A	1005	972	1.00
28	A	939	909	1.92
29	A	928	898	43.45
30	A	801	775	1.59
31	A	774	748	0.93
32	A	723	699	0.19
33	A	541	523	7.69
34	A	435	421	1.73
35	A	398	385	0.88
36	A	258	250	0.44
37	A	220	213	0.39
38	A	183	177	0.19
39	A	68	66	0.05

Atom	x (Å)	y (Å)	z (Å)
C1	0.990	1.329	0.023
H2	0.374	1.878	-0.693
H3	2.031	1.436	-0.278
H4	0.860	1.817	0.992
C5	-1.910	0.081	-0.395
H6	-1.880	1.163	-0.531
H7	-2.900	-0.174	-0.015
H8	-1.795	-0.383	-1.376
C9	-0.819	-0.405	0.570
H10	-0.931	-1.479	0.729
H11	-0.970	0.075	1.542
C12	0.587	-0.120	0.098
C13	1.426	-1.100	-0.232
H14	1.135	-2.142	-0.172
H15	2.433	-0.898	-0.574

	C1	H2	H3	H4	C5	H6	H7	H8	C9	H10	H11	C12	C13	H14	H15
C1		1.0921	1.0889	1.0932	3.1852	2.9280	4.1709	3.5562	2.5655	3.4746	2.7794	1.5063	2.4811	3.4790	2.7200
H2	1.0921		1.7647	1.7544	2.9211	2.3703	3.9228	3.2065	2.8686	3.8714	3.1702	2.1593	3.1915	4.1236	3.4584
H3	1.0889	1.7647		1.7693	4.1699	3.9293	5.1945	4.3772	3.4981	4.2762	3.7650	2.1564	2.6084	3.6902	2.3875
H4	1.0932	1.7544	1.7693		3.5513	3.2020	4.3721	4.1828	2.8172	3.7603	2.5859	2.1513	3.2142	4.1355	3.5074
C5	3.1852	2.9211	4.1699	3.5513		1.0902	1.0907	1.0906	1.5359	2.1580	2.1535	2.5540	3.5427	3.7766	4.4561
H6	2.9280	2.3703	3.9293	3.2020	1.0902		1.7589	1.7636	2.1897	3.0764	2.5113	2.8513	4.0172	4.4873	4.7806
H7	4.1709	3.9228	5.1945	4.3721	1.0907	1.7589		1.7651	2.1736	2.4762	2.4920	3.4896	4.4288	4.4913	5.4109
H8	3.5562	3.2065	4.3772	4.1828	1.0906	1.7636	1.7651		2.1767	2.5252	3.0665	2.8139	3.4924	3.6232	4.3347
C9	2.5655	2.8686	3.4981	2.8172	1.5359	2.1897	2.1736	2.1767		1.0910	1.0947	1.5107	2.4830	2.7169	3.4826
H10	3.4746	3.8714	4.2762	3.7603	2.1580	3.0764	2.4762	2.5252	1.0910		1.7541	2.1325	2.5727	2.3484	3.6536
H11	2.7794	3.1702	3.7650	2.5859	2.1535	2.5113	2.4920	3.0665	1.0947	1.7541		2.1329	3.2044	3.5041	4.1238
C12	1.5063	2.1593	2.1564	2.1513	2.5540	2.8513	3.4896	2.8139	1.5107	2.1325	2.1329		1.3310	2.1112	2.1126
C13	2.4811	3.1915	2.6084	3.2142	3.5427	4.0172	4.4288	3.4924	2.4830	2.5727	3.2044	1.3310		1.0829	1.0828
H14	3.4790	4.1236	3.6902	4.1355	3.7766	4.4873	4.4913	3.6232	2.7169	2.3484	3.5041	2.1112	1.0829		1.8422
H15	2.7200	3.4584	2.3875	3.5074	4.4561	4.7806	5.4109	4.3347	3.4826	3.6536	4.1238	2.1126	1.0828	1.8422

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C12	C9	116.495	C1	C12	C13	121.837
H2	C1	H3	108.024	H2	C1	H4	106.803
H2	C1	C12	111.409	H3	C1	H4	108.351
H3	C1	C12	111.375	H4	C1	C12	110.702
C5	C9	H10	109.304	C5	C9	H11	108.737
C5	C9	C12	113.920	H6	C5	H7	107.511
H6	C5	H8	107.935	H6	C5	C9	111.863
H7	C5	H8	108.028	H7	C5	C9	110.549
H8	C5	C9	110.802	C9	C12	C13	121.668
H10	C9	H11	106.748	H10	C9	C12	109.039
H11	C9	C12	108.848	C12	C13	H14	121.652
C12	C13	H15	121.797	H14	C13	H15	116.550

All results from a given calculation for C₅H₁₀ (1-Butene, 2-methyl-)

using model chemistry: B3LYPultrafine/aug-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	-0.779
2	H	0.185
3	H	0.178
4	H	0.186
5	C	-0.745
6	H	0.222
7	H	0.160
8	H	0.208
9	C	-0.156
10	H	0.101
11	H	0.168
12	C	0.893
13	C	-1.063
14	H	0.201
15	H	0.241

	x	y	z	Total
	-0.391	0.391	0.140	0.570
CHELPG
AIM
ESP

	x	y	z
x	10.837	-0.838	-0.392
y	-0.838	10.214	0.269
z	-0.392	0.269	8.113

<r²>	143.791
(<r²>)^1/2	11.991

All results from a given calculation for C5H10 (1-Butene, 2-methyl-)

using model chemistry: B3LYPultrafine/aug-cc-pVTZ

States and conformations

All results from a given calculation for C₅H₁₀ (1-Butene, 2-methyl-)