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	hartrees
Energy at 0K	-196.541301
Energy at 298.15K	-196.551469
HF Energy	-196.541301
Nuclear repulsion energy	176.281162

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3242	3096	17.09
2	A	3158	3016	8.86
3	A	3148	3006	20.03
4	A	3138	2997	43.99
5	A	3136	2995	30.26
6	A	3110	2970	20.26
7	A	3097	2957	12.47
8	A	3059	2922	28.12
9	A	3050	2913	24.25
10	A	3039	2902	26.64
11	A	1747	1668	24.67
12	A	1516	1448	4.28
13	A	1509	1441	9.71
14	A	1506	1438	12.33
15	A	1498	1430	13.84
16	A	1486	1419	4.78
17	A	1459	1393	0.32
18	A	1428	1363	8.18
19	A	1417	1353	4.78
20	A	1372	1310	0.70
21	A	1326	1266	1.17
22	A	1286	1228	1.09
23	A	1131	1080	0.66
24	A	1106	1056	5.22
25	A	1061	1013	0.65
26	A	1035	989	0.74
27	A	1014	968	0.74
28	A	953	910	1.77
29	A	929	887	48.56
30	A	813	776	1.94
31	A	785	750	1.07
32	A	719	686	0.35
33	A	546	521	8.99
34	A	448	428	1.75
35	A	412	393	0.93
36	A	269	257	0.24
37	A	217	207	0.72
38	A	165	158	0.34
39	A	68	65	0.07

Atom	x (Å)	y (Å)	z (Å)
C1	0.952	1.338	0.030
H2	0.323	1.868	-0.689
H3	1.993	1.474	-0.264
H4	0.802	1.817	1.002
C5	-1.893	0.073	-0.396
H6	-1.862	1.159	-0.503
H7	-2.886	-0.195	-0.032
H8	-1.761	-0.367	-1.387
C9	-0.813	-0.431	0.565
H10	-0.918	-1.510	0.698
H11	-0.971	0.029	1.546
C12	0.587	-0.119	0.101
C13	1.443	-1.077	-0.235
H14	1.172	-2.126	-0.180
H15	2.448	-0.851	-0.576

	C1	H2	H3	H4	C5	H6	H7	H8	C9	H10	H11	C12	C13	H14	H15
C1		1.0931	1.0901	1.0937	3.1425	2.8699	4.1336	3.5040	2.5557	3.4714	2.7767	1.5038	2.4786	3.4773	2.7190
H2	1.0931		1.7680	1.7581	2.8661	2.3042	3.8709	3.1344	2.8543	3.8562	3.1706	2.1545	3.1834	4.1150	3.4522
H3	1.0901	1.7680		1.7719	4.1327	3.8752	5.1619	4.3296	3.4916	4.2778	3.7616	2.1562	2.6099	3.6934	2.3892
H4	1.0937	1.7581	1.7719		3.5008	3.1291	4.3263	4.1284	2.8023	3.7572	2.5761	2.1465	3.2125	4.1333	3.5096
C5	3.1425	2.8661	4.1327	3.5008		1.0916	1.0915	1.0917	1.5307	2.1572	2.1510	2.5361	3.5322	3.7787	4.4411
H6	2.8699	2.3042	3.8752	3.1291	1.0916		1.7622	1.7665	2.1836	3.0751	2.5046	2.8275	3.9995	4.4838	4.7556
H7	4.1336	3.8709	5.1619	4.3263	1.0915	1.7622		1.7689	2.1696	2.4767	2.4920	3.4760	4.4225	4.4966	5.4009
H8	3.5040	3.1344	4.3296	4.1284	1.0917	1.7665	1.7689		2.1704	2.5224	3.0635	2.7905	3.4781	3.6272	4.3133
C9	2.5557	2.8543	3.4916	2.8023	1.5307	2.1836	2.1696	2.1704		1.0920	1.0952	1.5075	2.4798	2.7151	3.4801
H10	3.4714	3.8562	4.2778	3.7572	2.1572	3.0751	2.4767	2.5224	1.0920		1.7576	2.1338	2.5751	2.3493	3.6581
H11	2.7767	3.1706	3.7616	2.5761	2.1510	2.5046	2.4920	3.0635	1.0952	1.7576		2.1300	3.1975	3.4951	4.1185
C12	1.5038	2.1545	2.1562	2.1465	2.5361	2.8275	3.4760	2.7905	1.5075	2.1338	2.1300		1.3283	2.1094	2.1109
C13	2.4786	3.1834	2.6099	3.2125	3.5322	3.9995	4.4225	3.4781	2.4798	2.5751	3.1975	1.3283		1.0847	1.0845
H14	3.4773	4.1150	3.6934	4.1333	3.7787	4.4838	4.4966	3.6272	2.7151	2.3493	3.4951	2.1094	1.0847		1.8465
H15	2.7190	3.4522	2.3892	3.5096	4.4411	4.7556	5.4009	4.3133	3.4801	3.6581	4.1185	2.1109	1.0845	1.8465

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C12	C9	116.139	C1	C12	C13	122.018
H2	C1	H3	108.159	H2	C1	H4	107.012
H2	C1	C12	111.140	H3	C1	H4	108.456
H3	C1	C12	111.457	H4	C1	C12	110.461
C5	C9	H10	109.543	C5	C9	H11	108.870
C5	C9	C12	113.175	H6	C5	H7	107.645
H6	C5	H8	108.011	H6	C5	C9	111.656
H7	C5	H8	108.247	H7	C5	C9	110.547
H8	C5	C9	110.604	C9	C12	C13	121.841
H10	C9	H11	106.949	H10	C9	C12	109.300
H11	C9	C12	108.810	C12	C13	H14	121.576
C12	C13	H15	121.737	H14	C13	H15	116.686

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

using model chemistry: wB97X-D/TZVP

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	-0.409
2	H	0.144
3	H	0.129
4	H	0.125
5	C	-0.387
6	H	0.124
7	H	0.130
8	H	0.122
9	C	-0.187
10	H	0.120
11	H	0.124
12	C	0.020
13	C	-0.276
14	H	0.112
15	H	0.110

	x	y	z	Total
	-0.404	0.383	0.122	0.569
CHELPG
AIM
ESP

	x	y	z
x	10.046	-0.983	-0.543
y	-0.983	9.522	0.345
z	-0.543	0.345	7.300

<r²>	142.524
(<r²>)^1/2	11.938

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

using model chemistry: wB97X-D/TZVP

States and conformations

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