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	hartrees
Energy at 0K	-196.246591
Energy at 298.15K	-196.256567
HF Energy	-196.246591
Nuclear repulsion energy	174.641968

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3164	3112	21.44
2	A	3085	3034	10.45
3	A	3069	3018	22.41
4	A	3065	3014	25.76
5	A	3062	3012	40.74
6	A	3020	2970	23.40
7	A	3013	2963	15.54
8	A	2987	2938	27.10
9	A	2967	2918	26.03
10	A	2952	2903	28.93
11	A	1687	1659	13.37
12	A	1491	1466	2.96
13	A	1484	1460	5.28
14	A	1477	1452	10.91
15	A	1466	1442	10.92
16	A	1454	1430	1.86
17	A	1423	1400	0.26
18	A	1388	1365	4.26
19	A	1383	1360	2.88
20	A	1323	1301	1.96
21	A	1286	1264	2.38
22	A	1248	1228	2.04
23	A	1093	1075	0.67
24	A	1073	1055	6.31
25	A	1032	1015	1.28
26	A	1009	992	1.13
27	A	979	963	1.31
28	A	930	915	1.49
29	A	876	861	41.96
30	A	784	771	2.01
31	A	766	753	1.58
32	A	705	693	0.11
33	A	521	512	5.55
34	A	420	413	1.63
35	A	387	380	0.65
36	A	255	251	0.13
37	A	221	218	0.44
38	A	184	181	0.35
39	A	67	66	0.06

Atom	x (Å)	y (Å)	z (Å)
C1	0.983	1.340	0.026
H2	0.352	1.900	-0.688
H3	2.034	1.462	-0.285
H4	0.855	1.834	1.008
C5	-1.919	0.079	-0.394
H6	-1.892	1.176	-0.514
H7	-2.921	-0.188	-0.015
H8	-1.801	-0.372	-1.395
C9	-0.822	-0.420	0.565
H10	-0.931	-1.511	0.707
H11	-0.983	0.044	1.559
C12	0.588	-0.116	0.098
C13	1.446	-1.099	-0.233
H14	1.160	-2.156	-0.175
H15	2.466	-0.885	-0.572

	C1	H2	H3	H4	C5	H6	H7	H8	C9	H10	H11	C12	C13	H14	H15
C1		1.1060	1.1020	1.1070	3.1924	2.9306	4.1926	3.5638	2.5780	3.5002	2.8099	1.5103	2.4963	3.5055	2.7400
H2	1.1060		1.7839	1.7709	2.9260	2.3649	3.9401	3.2086	2.8866	3.9018	3.2060	2.1770	3.2252	4.1670	3.4987
H3	1.1020	1.7839		1.7885	4.1892	3.9430	5.2287	4.3929	3.5239	4.3136	3.8093	2.1739	2.6284	3.7231	2.4041
H4	1.1070	1.7709	1.7885		3.5701	3.2092	4.4040	4.2066	2.8446	3.8038	2.6245	2.1690	3.2399	4.1728	3.5340
C5	3.1924	2.9260	4.1892	3.5701		1.1035	1.1035	1.1035	1.5406	2.1716	2.1664	2.5629	3.5697	3.8109	4.4937
H6	2.9306	2.3649	3.9430	3.2092	1.1035		1.7794	1.7830	2.2037	3.1032	2.5305	2.8630	4.0500	4.5308	4.8216
H7	4.1926	3.9401	5.2287	4.4040	1.1035	1.7794		1.7859	2.1898	2.4957	2.5073	3.5115	4.4663	4.5328	5.4601
H8	3.5638	3.2086	4.3929	4.2066	1.1035	1.7830	1.7859		2.1910	2.5435	3.0928	2.8286	3.5248	3.6654	4.3758
C9	2.5780	2.8866	3.5239	2.8446	1.5406	2.2037	2.1898	2.1910		1.1049	1.1091	1.5163	2.4986	2.7361	3.5099
H10	3.5002	3.9018	4.3136	3.8038	2.1716	3.1032	2.4957	2.5435	1.1049		1.7736	2.1501	2.5892	2.3592	3.6833
H11	2.8099	3.2060	3.8093	2.6245	2.1664	2.5305	2.5073	3.0928	1.1091	1.7736		2.1519	3.2283	3.5269	4.1597
C12	1.5103	2.1770	2.1739	2.1690	2.5629	2.8630	3.5115	2.8286	1.5163	2.1501	2.1519		1.3463	2.1354	2.1369
C13	2.4963	3.2252	2.6284	3.2399	3.5697	4.0500	4.4663	3.5248	2.4986	2.5892	3.2283	1.3463		1.0958	1.0957
H14	3.5055	4.1670	3.7231	4.1728	3.8109	4.5308	4.5328	3.6654	2.7361	2.3592	3.5269	2.1354	1.0958		1.8647
H15	2.7400	3.4987	2.4041	3.5340	4.4937	4.8216	5.4601	4.3758	3.5099	3.6833	4.1597	2.1369	1.0957	1.8647

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C12	C9	116.817	C1	C12	C13	121.714
H2	C1	H3	107.787	H2	C1	H4	106.307
H2	C1	C12	111.696	H3	C1	H4	108.126
H3	C1	C12	111.688	H4	C1	C12	110.999
C5	C9	H10	109.233	C5	C9	H11	108.589
C5	C9	C12	113.939	H6	C5	H7	107.461
H6	C5	H8	107.777	H6	C5	C9	111.841
H7	C5	H8	108.032	H7	C5	C9	110.740
H8	C5	C9	110.826	C9	C12	C13	121.469
H10	C9	H11	106.473	H10	C9	C12	109.224
H11	C9	C12	109.116	C12	C13	H14	121.618
C12	C13	H15	121.769	H14	C13	H15	116.612

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

using model chemistry: PBEPBEultrafine/6-31G*

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	-0.557
2	H	0.170
3	H	0.166
4	H	0.165
5	C	-0.484
6	H	0.159
7	H	0.159
8	H	0.165
9	C	-0.354
10	H	0.153
11	H	0.153
12	C	0.245
13	C	-0.416
14	H	0.138
15	H	0.138

	x	y	z	Total
	-0.358	0.375	0.103	0.529
CHELPG
AIM
ESP

	x	y	z
x	9.314	-0.803	-0.735
y	-0.803	8.844	0.353
z	-0.735	0.353	6.081

<r²>	144.642
(<r²>)^1/2	12.027

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

using model chemistry: PBEPBEultrafine/6-31G*

States and conformations

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