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	hartrees
Energy at 0K	-196.254433
Energy at 298.15K	-196.264402
Nuclear repulsion energy	174.444893

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3161	3143	18.18
2	A	3067	3049	10.84
3	A	3064	3046	15.28
4	A	3057	3039	28.05
5	A	3054	3036	30.53
6	A	3016	2998	17.77
7	A	3007	2990	13.92
8	A	2973	2956	28.31
9	A	2956	2939	25.50
10	A	2944	2927	28.72
11	A	1674	1665	16.46
12	A	1432	1424	3.47
13	A	1421	1413	4.41
14	A	1416	1407	11.71
15	A	1405	1397	9.74
16	A	1393	1385	3.01
17	A	1373	1365	0.17
18	A	1340	1333	5.21
19	A	1339	1331	0.75
20	A	1296	1289	1.49
21	A	1259	1251	2.54
22	A	1223	1216	1.68
23	A	1068	1062	0.92
24	A	1054	1048	4.39
25	A	1013	1007	0.89
26	A	995	989	1.34
27	A	954	949	1.52
28	A	922	917	1.92
29	A	872	867	32.02
30	A	778	774	1.81
31	A	763	758	1.54
32	A	697	693	0.13
33	A	519	516	6.28
34	A	417	414	1.67
35	A	389	387	0.65
36	A	254	253	0.19
37	A	220	218	0.42
38	A	183	182	0.39
39	A	66	66	0.07

Atom	x (Å)	y (Å)	z (Å)
C1	0.986	1.338	0.024
H2	0.345	1.903	-0.686
H3	2.038	1.461	-0.297
H4	0.865	1.834	1.013
C5	-1.920	0.077	-0.394
H6	-1.897	1.178	-0.523
H7	-2.926	-0.189	-0.012
H8	-1.804	-0.382	-1.398
C9	-0.822	-0.414	0.565
H10	-0.929	-1.508	0.718
H11	-0.979	0.060	1.562
C12	0.588	-0.115	0.098
C13	1.445	-1.103	-0.232
H14	1.149	-2.162	-0.170
H15	2.469	-0.887	-0.573

	C1	H2	H3	H4	C5	H6	H7	H8	C9	H10	H11	C12	C13	H14	H15
C1		1.1111	1.1069	1.1122	3.1954	2.9392	4.1998	3.5728	2.5756	3.5002	2.8039	1.5086	2.4975	3.5094	2.7397
H2	1.1111		1.7928	1.7776	2.9237	2.3618	3.9407	3.2162	2.8804	3.9026	3.1942	2.1785	3.2332	4.1757	3.5082
H3	1.1069	1.7928		1.7975	4.1943	3.9521	5.2391	4.4013	3.5274	4.3188	3.8113	2.1778	2.6331	3.7331	2.4029
H4	1.1122	1.7776	1.7975		3.5803	3.2273	4.4169	4.2236	2.8458	3.8043	2.6172	2.1705	3.2423	4.1767	3.5338
C5	3.1954	2.9237	4.1943	3.5803		1.1092	1.1088	1.1093	1.5385	2.1754	2.1700	2.5631	3.5693	3.8049	4.4971
H6	2.9392	2.3618	3.9521	3.2273	1.1092		1.7859	1.7907	2.2085	3.1141	2.5376	2.8698	4.0570	4.5342	4.8303
H7	4.1998	3.9407	5.2391	4.4169	1.1088	1.7859		1.7935	2.1933	2.5027	2.5151	3.5168	4.4710	4.5300	5.4691
H8	3.5728	3.2162	4.4013	4.2236	1.1093	1.7907	1.7935		2.1952	2.5519	3.1035	2.8338	3.5262	3.6599	4.3815
C9	2.5756	2.8804	3.5274	2.8458	1.5385	2.2085	2.1933	2.1952		1.1099	1.1145	1.5157	2.5000	2.7347	3.5144
H10	3.5002	3.9026	4.3188	3.8043	2.1754	3.1141	2.5027	2.5519	1.1099		1.7814	2.1511	2.5886	2.3516	3.6876
H11	2.8039	3.1942	3.8113	2.6172	2.1700	2.5376	2.5151	3.1035	1.1145	1.7814		2.1522	3.2325	3.5303	4.1648
C12	1.5086	2.1785	2.1778	2.1705	2.5631	2.8698	3.5168	2.8338	1.5157	2.1511	2.1522		1.3488	2.1390	2.1407
C13	2.4975	3.2332	2.6331	3.2423	3.5693	4.0570	4.4710	3.5262	2.5000	2.5886	3.2325	1.3488		1.1012	1.1011
H14	3.5094	4.1757	3.7331	4.1767	3.8049	4.5342	4.5300	3.6599	2.7347	2.3516	3.5303	2.1390	1.1012		1.8798
H15	2.7397	3.5082	2.4029	3.5338	4.4971	4.8303	5.4691	4.3815	3.5144	3.6876	4.1648	2.1407	1.1011	1.8798

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C12	C9	116.782	C1	C12	C13	121.767
H2	C1	H3	107.856	H2	C1	H4	106.168
H2	C1	C12	111.624	H3	C1	H4	108.193
H3	C1	C12	111.831	H4	C1	C12	110.924
C5	C9	H10	109.391	C5	C9	H11	108.713
C5	C9	C12	114.110	H6	C5	H7	107.255
H6	C5	H8	107.637	H6	C5	C9	112.029
H7	C5	H8	107.914	H7	C5	C9	110.852
H8	C5	C9	110.964	C9	C12	C13	121.450
H10	C9	H11	106.427	H10	C9	C12	109.051
H11	C9	C12	108.867	C12	C13	H14	121.312
C12	C13	H15	121.484	H14	C13	H15	117.205

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

using model chemistry: PBEPBE/cc-pVDZ

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	0.005
2	H	0.045
3	H	0.028
4	H	0.041
5	C	-0.062
6	H	0.034
7	H	0.030
8	H	0.037
9	C	-0.011
10	H	0.013
11	H	0.027
12	C	-0.214
13	C	0.011
14	H	0.009
15	H	0.008

	x	y	z	Total
	-0.385	0.416	0.122	0.580
CHELPG
AIM
ESP

	x	y	z
x	9.976	-0.799	-0.704
y	-0.799	9.476	0.327
z	-0.704	0.327	6.619

<r²>	145.111
(<r²>)^1/2	12.046

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

using model chemistry: PBEPBE/cc-pVDZ

States and conformations

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