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	hartrees
Energy at 0K	-196.505920
Energy at 298.15K	-196.516050
Nuclear repulsion energy	175.831917

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3260	3103	18.74
2	A	3173	3020	10.24
3	A	3158	3006	21.33
4	A	3153	3001	35.45
5	A	3148	2997	33.43
6	A	3117	2967	18.91
7	A	3107	2958	13.63
8	A	3068	2920	30.67
9	A	3055	2908	28.66
10	A	3046	2899	28.03
11	A	1737	1653	24.57
12	A	1516	1443	3.38
13	A	1510	1437	9.08
14	A	1504	1431	15.27
15	A	1494	1422	14.68
16	A	1481	1410	4.11
17	A	1454	1384	0.39
18	A	1418	1350	7.61
19	A	1415	1347	5.64
20	A	1361	1296	1.03
21	A	1318	1254	1.53
22	A	1278	1216	1.03
23	A	1121	1067	0.80
24	A	1101	1048	5.48
25	A	1056	1005	0.38
26	A	1035	985	1.17
27	A	1002	954	0.98
28	A	955	909	1.47
29	A	927	883	56.68
30	A	805	766	1.98
31	A	786	748	1.30
32	A	725	690	0.26
33	A	538	512	9.32
34	A	433	413	1.55
35	A	400	381	0.93
36	A	265	252	0.24
37	A	221	211	0.74
38	A	180	171	0.36
39	A	68	65	0.06

Atom	x (Å)	y (Å)	z (Å)
C1	0.970	1.336	0.029
H2	0.350	1.882	-0.690
H3	2.014	1.462	-0.264
H4	0.826	1.821	1.001
C5	-1.909	0.078	-0.389
H6	-1.894	1.167	-0.485
H7	-2.898	-0.204	-0.019
H8	-1.787	-0.349	-1.388
C9	-0.816	-0.427	0.557
H10	-0.919	-1.509	0.684
H11	-0.971	0.021	1.548
C12	0.586	-0.116	0.095
C13	1.446	-1.086	-0.233
H14	1.165	-2.134	-0.178
H15	2.456	-0.865	-0.563

	C1	H2	H3	H4	C5	H6	H7	H8	C9	H10	H11	C12	C13	H14	H15
C1		1.0951	1.0918	1.0962	3.1688	2.9143	4.1635	3.5282	2.5639	3.4769	2.7928	1.5030	2.4824	3.4815	2.7206
H2	1.0951		1.7680	1.7581	2.9061	2.3638	3.9181	3.1675	2.8713	3.8726	3.1959	2.1594	3.1971	4.1298	3.4634
H3	1.0918	1.7680		1.7724	4.1613	3.9250	5.1927	4.3580	3.4998	4.2810	3.7771	2.1580	2.6112	3.6958	2.3872
H4	1.0962	1.7581	1.7724		3.5283	3.1679	4.3603	4.1532	2.8188	3.7728	2.6011	2.1519	3.2186	4.1410	3.5097
C5	3.1688	2.9061	4.1613	3.5283		1.0933	1.0935	1.0936	1.5312	2.1566	2.1527	2.5487	3.5543	3.7933	4.4686
H6	2.9143	2.3638	3.9250	3.1679	1.0933		1.7623	1.7679	2.1886	3.0791	2.5099	2.8518	4.0368	4.5113	4.8015
H7	4.1635	3.9181	5.1927	4.3603	1.0935	1.7623		1.7692	2.1724	2.4733	2.4945	3.4874	4.4380	4.5017	5.4222
H8	3.5282	3.1675	4.3580	4.1532	1.0936	1.7679	1.7692		2.1757	2.5289	3.0699	2.8084	3.5117	3.6564	4.3532
C9	2.5639	2.8713	3.4998	2.8188	1.5312	2.1886	2.1724	2.1757		1.0944	1.0985	1.5083	2.4843	2.7164	3.4856
H10	3.4769	3.8726	4.2810	3.7728	2.1566	3.0791	2.4733	2.5289	1.0944		1.7577	2.1338	2.5710	2.3406	3.6551
H11	2.7928	3.1959	3.7771	2.6011	2.1527	2.5099	2.4945	3.0699	1.0985	1.7577		2.1337	3.1991	3.4908	4.1209
C12	1.5030	2.1594	2.1580	2.1519	2.5487	2.8518	3.4874	2.8084	1.5083	2.1338	2.1337		1.3372	2.1173	2.1190
C13	2.4824	3.1971	2.6112	3.2186	3.5543	4.0368	4.4380	3.5117	2.4843	2.5710	3.1991	1.3372		1.0858	1.0857
H14	3.4815	4.1298	3.6958	4.1410	3.7933	4.5113	4.5017	3.6564	2.7164	2.3406	3.4908	2.1173	1.0858		1.8506
H15	2.7206	3.4634	2.3872	3.5097	4.4686	4.8015	5.4222	4.3532	3.4856	3.6551	4.1209	2.1190	1.0857	1.8506

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C12	C9	116.735	C1	C12	C13	121.750
H2	C1	H3	107.896	H2	C1	H4	106.705
H2	C1	C12	111.470	H3	C1	H4	108.208
H3	C1	C12	111.564	H4	C1	C12	110.799
C5	C9	H10	109.318	C5	C9	H11	108.783
C5	C9	C12	113.963	H6	C5	H7	107.396
H6	C5	H8	107.884	H6	C5	C9	111.924
H7	C5	H8	107.982	H7	C5	C9	110.617
H8	C5	C9	110.872	C9	C12	C13	121.515
H10	C9	H11	106.559	H10	C9	C12	109.097
H11	C9	C12	108.860	C12	C13	H14	121.468
C12	C13	H15	121.633	H14	C13	H15	116.899

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

using model chemistry: mPW1PW91/6-31+G**

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	-0.767
2	H	0.172
3	H	0.170
4	H	0.174
5	C	-0.617
6	H	0.162
7	H	0.169
8	H	0.175
9	C	-0.235
10	H	0.160
11	H	0.166
12	C	0.476
13	C	-0.498
14	H	0.146
15	H	0.147

	x	y	z	Total
	-0.415	0.406	0.137	0.597
CHELPG
AIM
ESP

	x	y	z
x	0.000	0.000	0.000
y	0.000	0.000	0.000
z	0.000	0.000	0.000

<r²>	143.423
(<r²>)^1/2	11.976

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

using model chemistry: mPW1PW91/6-31+G**

States and conformations

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