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	hartrees
Energy at 0K	-196.525867
Energy at 298.15K	-196.536082
HF Energy	-196.525867
Nuclear repulsion energy	176.046400

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3233	3092	19.78
2	A	3148	3011	11.16
3	A	3140	3004	20.61
4	A	3130	2994	47.85
5	A	3126	2990	35.35
6	A	3100	2965	24.50
7	A	3090	2955	12.11
8	A	3049	2917	29.56
9	A	3041	2908	26.78
10	A	3031	2899	29.38
11	A	1748	1672	21.40
12	A	1517	1451	4.91
13	A	1508	1442	8.32
14	A	1505	1439	11.21
15	A	1496	1431	12.50
16	A	1483	1419	6.69
17	A	1453	1390	0.49
18	A	1424	1362	7.44
19	A	1414	1352	4.57
20	A	1369	1309	0.56
21	A	1322	1265	1.12
22	A	1282	1227	1.18
23	A	1128	1079	0.46
24	A	1103	1055	5.46
25	A	1059	1013	0.87
26	A	1034	989	1.05
27	A	1010	967	0.89
28	A	953	911	1.62
29	A	926	886	45.61
30	A	814	779	1.94
31	A	786	752	1.17
32	A	720	688	0.34
33	A	545	521	8.40
34	A	445	426	1.72
35	A	410	393	0.90
36	A	277	265	0.20
37	A	224	214	0.62
38	A	176	169	0.33
39	A	78	74	0.07

Atom	x (Å)	y (Å)	z (Å)
C1	0.963	1.336	0.028
H2	0.335	1.871	-0.691
H3	2.005	1.465	-0.270
H4	0.819	1.819	1.000
C5	-1.895	0.075	-0.399
H6	-1.862	1.161	-0.518
H7	-2.891	-0.187	-0.032
H8	-1.764	-0.377	-1.385
C9	-0.816	-0.422	0.569
H10	-0.924	-1.501	0.714
H11	-0.972	0.048	1.548
C12	0.587	-0.120	0.102
C13	1.437	-1.086	-0.235
H14	1.159	-2.134	-0.178
H15	2.444	-0.866	-0.578

	C1	H2	H3	H4	C5	H6	H7	H8	C9	H10	H11	C12	C13	H14	H15
C1		1.0946	1.0914	1.0953	3.1534	2.8828	4.1447	3.5173	2.5594	3.4757	2.7775	1.5057	2.4820	3.4816	2.7223
H2	1.0946		1.7701	1.7601	2.8783	2.3151	3.8828	3.1530	2.8587	3.8635	3.1692	2.1577	3.1885	4.1208	3.4575
H3	1.0914	1.7701		1.7738	4.1428	3.8871	5.1728	4.3412	3.4963	4.2829	3.7651	2.1590	2.6134	3.6980	2.3921
H4	1.0953	1.7601	1.7738		3.5165	3.1503	4.3421	4.1457	2.8076	3.7606	2.5777	2.1497	3.2168	4.1388	3.5135
C5	3.1534	2.8783	4.1428	3.5165		1.0932	1.0929	1.0931	1.5328	2.1596	2.1544	2.5397	3.5328	3.7755	4.4436
H6	2.8828	2.3151	3.8871	3.1503	1.0932		1.7644	1.7688	2.1870	3.0793	2.5093	2.8323	4.0018	4.4830	4.7597
H7	4.1447	3.8828	5.1728	4.3421	1.0929	1.7644		1.7710	2.1729	2.4797	2.4963	3.4809	4.4249	4.4952	5.4052
H8	3.5173	3.1530	4.3412	4.1457	1.0931	1.7688	1.7710		2.1728	2.5246	3.0676	2.7938	3.4749	3.6177	4.3125
C9	2.5594	2.8587	3.4963	2.8076	1.5328	2.1870	2.1729	2.1728		1.0935	1.0969	1.5093	2.4827	2.7177	3.4841
H10	3.4757	3.8635	4.2829	3.7606	2.1596	3.0793	2.4797	2.5246	1.0935		1.7598	2.1364	2.5783	2.3521	3.6623
H11	2.7775	3.1692	3.7651	2.5777	2.1544	2.5093	2.4963	3.0676	1.0969	1.7598		2.1331	3.2046	3.5040	4.1260
C12	1.5057	2.1577	2.1590	2.1497	2.5397	2.8323	3.4809	2.7938	1.5093	2.1364	2.1331		1.3303	2.1121	2.1136
C13	2.4820	3.1885	2.6134	3.2168	3.5328	4.0018	4.4249	3.4749	2.4827	2.5783	3.2046	1.3303		1.0859	1.0857
H14	3.4816	4.1208	3.6980	4.1388	3.7755	4.4830	4.4952	3.6177	2.7177	2.3521	3.5040	2.1121	1.0859		1.8488
H15	2.7223	3.4575	2.3921	3.5135	4.4436	4.7597	5.4052	4.3125	3.4841	3.6623	4.1260	2.1136	1.0857	1.8488

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C12	C9	116.184	C1	C12	C13	122.011
H2	C1	H3	108.141	H2	C1	H4	106.981
H2	C1	C12	111.171	H3	C1	H4	108.429
H3	C1	C12	111.467	H4	C1	C12	110.492
C5	C9	H10	109.500	C5	C9	H11	108.895
C5	C9	C12	113.200	H6	C5	H7	107.636
H6	C5	H8	108.004	H6	C5	C9	111.695
H7	C5	H8	108.228	H7	C5	C9	110.584
H8	C5	C9	110.563	C9	C12	C13	121.804
H10	C9	H11	106.920	H10	C9	C12	109.296
H11	C9	C12	108.834	C12	C13	H14	121.563
C12	C13	H15	121.724	H14	C13	H15	116.714

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

using model chemistry: wB97X-D/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
1	C	-0.282
2	H	0.128
3	H	0.120
4	H	0.122
5	C	-0.322
6	H	0.115
7	H	0.120
8	H	0.121
9	C	-0.235
10	H	0.121
11	H	0.124
12	C	-0.137
13	C	-0.205
14	H	0.105
15	H	0.105

	x	y	z	Total
	-0.363	0.372	0.112	0.531
CHELPG
AIM
ESP

	x	y	z
x	9.653	-0.899	-0.627
y	-0.899	9.212	0.341
z	-0.627	0.341	6.731

<r²>	142.759
(<r²>)^1/2	11.948

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

using model chemistry: wB97X-D/6-311G**

States and conformations

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