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	hartrees
Energy at 0K	-194.065303
Energy at 298.15K	-194.075767
Nuclear repulsion energy	176.187433

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3381	3051	20.92
2	A	3310	2988	10.60
3	A	3275	2956	42.50
4	A	3267	2949	18.16
5	A	3259	2942	50.64
6	A	3241	2926	8.32
7	A	3234	2919	23.07
8	A	3203	2891	24.21
9	A	3198	2886	29.09
10	A	3189	2879	18.04
11	A	1869	1687	14.89
12	A	1677	1514	3.76
13	A	1674	1511	9.66
14	A	1669	1506	10.09
15	A	1661	1499	13.47
16	A	1650	1489	1.58
17	A	1612	1455	0.23
18	A	1578	1425	6.33
19	A	1569	1416	6.03
20	A	1484	1340	0.70
21	A	1441	1301	1.98
22	A	1387	1251	2.34
23	A	1239	1118	0.20
24	A	1221	1102	7.91
25	A	1172	1058	6.87
26	A	1125	1016	1.25
27	A	1092	986	59.83
28	A	1062	958	0.73
29	A	987	891	0.95
30	A	881	795	2.53
31	A	816	737	1.50
32	A	785	708	0.04
33	A	593	536	9.53
34	A	474	428	1.54
35	A	421	380	0.85
36	A	278	251	0.84
37	A	237	214	0.24
38	A	181	164	0.29
39	A	69	62	0.04

Atom	x (Å)	y (Å)	z (Å)
C1	1.075	1.293	-0.008
H2	0.450	1.868	-0.683
H3	2.093	1.327	-0.377
H4	1.045	1.781	0.962
C5	-1.892	0.094	-0.430
H6	-1.792	1.135	-0.713
H7	-2.894	-0.053	-0.042
H8	-1.773	-0.516	-1.318
C9	-0.836	-0.302	0.630
H10	-0.996	-1.334	0.919
H11	-0.970	0.312	1.516
C12	0.580	-0.134	0.109
C13	1.328	-1.167	-0.223
H14	0.974	-2.177	-0.127
H15	2.325	-1.047	-0.605

	C1	H2	H3	H4	C5	H6	H7	H8	C9	H10	H11	C12	C13	H14	H15
C1		1.0851	1.0827	1.0863	3.2277	2.9568	4.1910	3.6191	2.5696	3.4713	2.7328	1.5152	2.4827	3.4733	2.7193
H2	1.0851		1.7564	1.7523	2.9483	2.3586	3.9089	3.3200	2.8432	3.8611	3.0451	2.1568	3.1928	4.1160	3.4666
H3	1.0827	1.7564		1.7596	4.1710	3.9037	5.1845	4.3843	3.4988	4.2777	3.7407	2.1584	2.6131	3.6863	2.3961
H4	1.0863	1.7523	1.7596		3.6617	3.3575	4.4592	4.2909	2.8259	3.7239	2.5544	2.1471	3.1901	4.1052	3.4771
C5	3.2277	2.9483	4.1710	3.6617		1.0832	1.0845	1.0834	1.5472	2.1591	2.1637	2.5400	3.4645	3.6691	4.3719
H6	2.9568	2.3586	3.9037	3.3575	1.0832		1.7538	1.7578	2.1865	3.0647	2.5139	2.8128	3.9084	4.3545	4.6606
H7	4.1910	3.9089	5.1845	4.4592	1.0845	1.7538		1.7600	2.1786	2.4828	2.5015	3.4777	4.3703	4.4133	5.3422
H8	3.6191	3.3200	4.3843	4.2909	1.0834	1.7578	1.7600		2.1713	2.5053	3.0587	2.7779	3.3524	3.4239	4.1932
C9	2.5696	2.8432	3.4988	2.8259	1.5472	2.1865	2.1786	2.1713		1.0837	1.0861	1.5178	2.4823	2.7138	3.4745
H10	3.4713	3.8611	4.2777	3.7239	2.1591	3.0647	2.4828	2.5053	1.0837		1.7505	2.1399	2.5956	2.3849	3.6655
H11	2.7328	3.0451	3.7407	2.5544	2.1637	2.5139	2.5015	3.0587	1.0861	1.7505		2.1401	3.2399	3.5599	4.1477
C12	1.5152	2.1568	2.1584	2.1471	2.5400	2.8128	3.4777	2.7779	1.5178	2.1399	2.1401		1.3186	2.0938	2.0950
C13	2.4827	3.1928	2.6131	3.1901	3.4645	3.9084	4.3703	3.3524	2.4823	2.5956	3.2399	1.3186		1.0741	1.0739
H14	3.4733	4.1160	3.6863	4.1052	3.6691	4.3545	4.4133	3.4239	2.7138	2.3849	3.5599	2.0938	1.0741		1.8247
H15	2.7193	3.4666	2.3961	3.4771	4.3719	4.6606	5.3422	4.1932	3.4745	3.6655	4.1477	2.0950	1.0739	1.8247

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C12	C9	115.820	C1	C12	C13	122.209
H2	C1	H3	108.238	H2	C1	H4	107.604
H2	C1	C12	111.005	H3	C1	H4	108.436
H3	C1	C12	111.281	H4	C1	C12	110.157
C5	C9	H10	109.024	C5	C9	H11	109.247
C5	C9	C12	111.931	H6	C5	H7	108.008
H6	C5	H8	108.449	H6	C5	C9	111.223
H7	C5	H8	108.556	H7	C5	C9	110.516
H8	C5	C9	110.009	C9	C12	C13	121.971
H10	C9	H11	107.557	H10	C9	C12	109.552
H11	C9	C12	109.427	C12	C13	H14	121.773
C12	C13	H15	121.917	H14	C13	H15	116.309

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

using model chemistry: HF/3-21G*

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
1	C	-0.602	-0.198
2	H	0.214	0.072
3	H	0.213	0.068
4	H	0.211	0.062
5	C	-0.578	-0.085
6	H	0.201	0.024
7	H	0.201	0.022
8	H	0.210	0.023
9	C	-0.453	0.059
10	H	0.219	0.007
11	H	0.213	0.002
12	C	-0.034	0.120
13	C	-0.415	-0.584
14	H	0.201	0.201
15	H	0.201	0.206

	x	y	z	Total
	-0.296	0.349	0.067	0.462
CHELPG	-0.235	0.339	0.066	0.417
AIM
ESP

	x	y	z
x	8.035	-0.971	-0.746
y	-0.971	8.136	0.438
z	-0.746	0.438	5.385

<r²>	142.711
(<r²>)^1/2	11.946

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

using model chemistry: HF/3-21G*

States and conformations

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