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	hartrees
Energy at 0K	-195.178774
Energy at 298.15K	-195.189234
Nuclear repulsion energy	176.245081

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3365	3043	32.82
2	A	3291	2976	18.84
3	A	3257	2946	37.84
4	A	3248	2938	77.32
5	A	3238	2928	75.88
6	A	3221	2913	35.14
7	A	3214	2907	18.52
8	A	3182	2877	41.36
9	A	3175	2871	38.51
10	A	3166	2863	35.93
11	A	1860	1682	22.02
12	A	1644	1486	2.73
13	A	1636	1479	6.63
14	A	1631	1476	11.76
15	A	1624	1469	8.94
16	A	1612	1458	3.09
17	A	1580	1429	0.68
18	A	1550	1402	2.26
19	A	1545	1397	2.63
20	A	1485	1343	3.64
21	A	1424	1288	1.42
22	A	1381	1249	2.05
23	A	1218	1102	0.67
24	A	1195	1080	3.83
25	A	1145	1036	0.80
26	A	1091	987	0.43
27	A	1090	986	0.50
28	A	1035	936	54.53
29	A	1006	910	0.73
30	A	859	777	1.19
31	A	822	743	0.67
32	A	782	707	0.13
33	A	580	525	8.00
34	A	467	422	1.88
35	A	424	384	0.84
36	A	282	255	0.32
37	A	241	218	0.42
38	A	189	171	0.13
39	A	69	62	0.06

Atom	x (Å)	y (Å)	z (Å)
C1	0.999	1.325	0.026
H2	0.413	1.872	-0.706
H3	2.043	1.429	-0.242
H4	0.846	1.814	0.985
C5	-1.911	0.093	-0.390
H6	-1.896	1.172	-0.493
H7	-2.895	-0.183	-0.025
H8	-1.790	-0.338	-1.379
C9	-0.822	-0.411	0.563
H10	-0.941	-1.480	0.705
H11	-0.969	0.048	1.540
C12	0.587	-0.125	0.093
C13	1.419	-1.099	-0.233
H14	1.129	-2.134	-0.180
H15	2.424	-0.901	-0.564

	C1	H2	H3	H4	C5	H6	H7	H8	C9	H10	H11	C12	C13	H14	H15
C1		1.0856	1.0828	1.0870	3.1875	2.9451	4.1759	3.5382	2.5727	3.4768	2.7919	1.5089	2.4731	3.4675	2.7080
H2	1.0856		1.7521	1.7462	2.9430	2.4211	3.9525	3.1915	2.8886	3.8795	3.2057	2.1577	3.1716	4.1030	3.4283
H3	1.0828	1.7521		1.7564	4.1765	3.9553	5.1988	4.3714	3.4992	4.2731	3.7621	2.1558	2.6037	3.6792	2.3830
H4	1.0870	1.7462	1.7564		3.5292	3.1804	4.3589	4.1433	2.8125	3.7573	2.5925	2.1499	3.2081	4.1257	3.5013
C5	3.1875	2.9430	4.1765	3.5292		1.0844	1.0852	1.0851	1.5325	2.1480	2.1485	2.5541	3.5403	3.7741	4.4509
H6	2.9451	2.4211	3.9553	3.1804	1.0844		1.7478	1.7538	2.1852	3.0627	2.5017	2.8624	4.0266	4.4921	4.7921
H7	4.1759	3.9525	5.1988	4.3589	1.0852	1.7478		1.7546	2.1661	2.4558	2.4919	3.4845	4.4147	4.4742	5.3940
H8	3.5382	3.1915	4.3714	4.1433	1.0851	1.7538	1.7546		2.1713	2.5234	3.0566	2.8043	3.4916	3.6311	4.3289
C9	2.5727	2.8886	3.4992	2.8125	1.5325	2.1852	2.1661	2.1713		1.0846	1.0886	1.5132	2.4759	2.7071	3.4714
H10	3.4768	3.8795	4.2731	3.7573	2.1480	3.0627	2.4558	2.5234	1.0846		1.7408	2.1315	2.5675	2.3438	3.6424
H11	2.7919	3.2057	3.7621	2.5925	2.1485	2.5017	2.4919	3.0566	1.0886	1.7408		2.1318	3.1869	3.4808	4.1034
C12	1.5089	2.1577	2.1558	2.1499	2.5541	2.8624	3.4845	2.8043	1.5132	2.1315	2.1318		1.3210	2.0983	2.0993
C13	2.4731	3.1716	2.6037	3.2081	3.5403	4.0266	4.4147	3.4916	2.4759	2.5675	3.1869	1.3210		1.0767	1.0767
H14	3.4675	4.1030	3.6792	4.1257	3.7741	4.4921	4.4742	3.6311	2.7071	2.3438	3.4808	2.0983	1.0767		1.8293
H15	2.7080	3.4283	2.3830	3.5013	4.4509	4.7921	5.3940	4.3289	3.4714	3.6424	4.1034	2.0993	1.0767	1.8293

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C12	C9	116.701	C1	C12	C13	121.691
H2	C1	H3	107.806	H2	C1	H4	106.975
H2	C1	C12	111.490	H3	C1	H4	108.090
H3	C1	C12	111.511	H4	C1	C12	110.776
C5	C9	H10	109.118	C5	C9	H11	108.925
C5	C9	C12	113.974	H6	C5	H7	107.331
H6	C5	H8	107.882	H6	C5	C9	112.100
H7	C5	H8	107.896	H7	C5	C9	110.517
H8	C5	C9	110.939	C9	C12	C13	121.606
H10	C9	H11	106.457	H10	C9	C12	109.155
H11	C9	C12	108.941	C12	C13	H14	121.785
C12	C13	H15	121.893	H14	C13	H15	116.322

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

using model chemistry: HF/6-311G*

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	CHELPG	ESP
1	C	-0.652	-0.144	-0.328
2	H	0.222	0.048	0.099
3	H	0.219	0.048	0.100
4	H	0.213	0.043	0.092
5	C	-0.610	0.009	-0.079
6	H	0.207	-0.003	0.020
7	H	0.210	-0.010	0.014
8	H	0.212	-0.015	0.026
9	C	-0.455	0.119	0.055
10	H	0.214	-0.016	0.010
11	H	0.208	-0.030	0.004
12	C	0.072	0.161	0.229
13	C	-0.482	-0.624	-0.725
14	H	0.211	0.201	0.233
15	H	0.211	0.213	0.251

	x	y	z	Total
	-0.323	0.332	0.118	0.478
CHELPG
AIM
ESP	-0.290	0.347	0.115	0.467

	x	y	z
x	9.045	-1.045	-0.625
y	-1.045	8.762	0.400
z	-0.625	0.400	6.347

<r²>	143.380
(<r²>)^1/2	11.974

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

using model chemistry: HF/6-311G*

States and conformations

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