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	hartrees
Energy at 0K	-196.621455
Energy at 298.15K	-196.631605
HF Energy	-196.621455
Nuclear repulsion energy	175.859066

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3210	3090	18.51
2	A	3132	3015	10.19
3	A	3107	2991	21.16
4	A	3101	2985	41.70
5	A	3094	2978	34.46
6	A	3063	2948	18.39
7	A	3059	2944	14.81
8	A	3034	2920	28.05
9	A	3019	2906	27.75
10	A	3004	2892	25.39
11	A	1709	1645	22.82
12	A	1511	1454	3.38
13	A	1503	1447	5.53
14	A	1498	1442	12.55
15	A	1489	1433	9.44
16	A	1478	1422	3.01
17	A	1451	1397	0.16
18	A	1414	1361	4.43
19	A	1411	1358	3.45
20	A	1353	1303	1.75
21	A	1313	1264	1.26
22	A	1275	1227	1.41
23	A	1120	1078	0.72
24	A	1098	1057	4.15
25	A	1052	1013	0.73
26	A	1020	982	0.19
27	A	1006	968	1.05
28	A	941	905	1.95
29	A	932	898	44.15
30	A	803	773	1.61
31	A	775	746	0.98
32	A	727	700	0.16
33	A	541	521	7.45
34	A	435	419	1.74
35	A	400	385	0.83
36	A	263	253	0.35
37	A	223	215	0.43
38	A	184	178	0.18
39	A	72	69	0.05

Atom	x (Å)	y (Å)	z (Å)
C1	0.992	1.329	0.022
H2	0.374	1.878	-0.692
H3	2.032	1.435	-0.281
H4	0.864	1.817	0.992
C5	-1.910	0.082	-0.396
H6	-1.879	1.163	-0.534
H7	-2.901	-0.171	-0.014
H8	-1.797	-0.386	-1.375
C9	-0.820	-0.404	0.570
H10	-0.932	-1.478	0.730
H11	-0.971	0.077	1.542
C12	0.587	-0.120	0.098
C13	1.425	-1.101	-0.232
H14	1.133	-2.142	-0.171
H15	2.433	-0.900	-0.574

	C1	H2	H3	H4	C5	H6	H7	H8	C9	H10	H11	C12	C13	H14	H15
C1		1.0923	1.0891	1.0934	3.1863	2.9284	4.1715	3.5592	2.5657	3.4749	2.7799	1.5063	2.4811	3.4793	2.7199
H2	1.0923		1.7650	1.7546	2.9215	2.3689	3.9223	3.2103	2.8681	3.8715	3.1691	2.1597	3.1924	4.1246	3.4596
H3	1.0891	1.7650		1.7694	4.1702	3.9286	5.1948	4.3790	3.4985	4.2767	3.7664	2.1566	2.6082	3.6902	2.3868
H4	1.0934	1.7546	1.7694		3.5551	3.2064	4.3751	4.1879	2.8193	3.7618	2.5883	2.1519	3.2141	4.1360	3.5065
C5	3.1863	2.9215	4.1702	3.5551		1.0904	1.0909	1.0908	1.5358	2.1579	2.1537	2.5542	3.5424	3.7761	4.4561
H6	2.9284	2.3689	3.9286	3.2064	1.0904		1.7592	1.7638	2.1898	3.0767	2.5127	2.8508	4.0159	4.4861	4.7793
H7	4.1715	3.9223	5.1948	4.3751	1.0909	1.7592		1.7652	2.1739	2.4773	2.4915	3.4901	4.4295	4.4923	5.4118
H8	3.5592	3.2103	4.3790	4.1879	1.0908	1.7638	1.7652		2.1769	2.5244	3.0669	2.8152	3.4924	3.6221	4.3354
C9	2.5657	2.8681	3.4985	2.8193	1.5358	2.1898	2.1739	2.1769		1.0912	1.0950	1.5108	2.4833	2.7175	3.4830
H10	3.4749	3.8715	4.2767	3.7618	2.1579	3.0767	2.4773	2.5244	1.0912		1.7543	2.1327	2.5730	2.3490	3.6541
H11	2.7799	3.1691	3.7664	2.5883	2.1537	2.5127	2.4915	3.0669	1.0950	1.7543		2.1334	3.2054	3.5055	4.1249
C12	1.5063	2.1597	2.1566	2.1519	2.5542	2.8508	3.4901	2.8152	1.5108	2.1327	2.1334		1.3312	2.1116	2.1129
C13	2.4811	3.1924	2.6082	3.2141	3.5424	4.0159	4.4295	3.4924	2.4833	2.5730	3.2054	1.3312		1.0831	1.0830
H14	3.4793	4.1246	3.6902	4.1360	3.7761	4.4861	4.4923	3.6221	2.7175	2.3490	3.5055	2.1116	1.0831		1.8425
H15	2.7199	3.4596	2.3868	3.5065	4.4561	4.7793	5.4118	4.3354	3.4830	3.6541	4.1249	2.1129	1.0830	1.8425

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C12	C9	116.508	C1	C12	C13	121.820
H2	C1	H3	108.015	H2	C1	H4	106.788
H2	C1	C12	111.424	H3	C1	H4	108.329
H3	C1	C12	111.370	H4	C1	C12	110.735
C5	C9	H10	109.291	C5	C9	H11	108.741
C5	C9	C12	113.933	H6	C5	H7	107.503
H6	C5	H8	107.922	H6	C5	C9	111.870
H7	C5	H8	108.015	H7	C5	C9	110.569
H8	C5	C9	110.807	C9	C12	C13	121.671
H10	C9	H11	106.729	H10	C9	C12	109.033
H11	C9	C12	108.867	C12	C13	H14	121.661
C12	C13	H15	121.792	H14	C13	H15	116.547

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

using model chemistry: B3LYP/Def2TZVPP

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	-0.237
2	H	0.088
3	H	0.078
4	H	0.084
5	C	-0.255
6	H	0.076
7	H	0.081
8	H	0.086
9	C	-0.069
10	H	0.058
11	H	0.059
12	C	0.009
13	C	-0.227
14	H	0.084
15	H	0.084

	x	y	z	Total
	-0.379	0.387	0.135	0.558
CHELPG
AIM
ESP

	x	y	z
x	10.465	-0.866	-0.476
y	-0.866	9.913	0.307
z	-0.476	0.307	7.613

<r²>	143.793
(<r²>)^1/2	11.991

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

using model chemistry: B3LYP/Def2TZVPP

States and conformations

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