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	hartrees
Energy at 0K	-196.364858
Energy at 298.15K	-196.357269
HF Energy	-196.557025
Nuclear repulsion energy	175.491281

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3218	3106	18.68
2	A	3140	3030	8.68
3	A	3115	3006	23.02
4	A	3111	3002	35.50
5	A	3107	2998	35.08
6	A	3069	2962	22.61
7	A	3064	2957	14.93
8	A	3038	2932	24.81
9	A	3021	2915	25.66
10	A	3008	2902	26.79
11	A	1722	1662	14.72
12	A	1510	1457	1.72
13	A	1502	1450	4.04
14	A	1497	1444	9.54
15	A	1486	1434	7.11
16	A	1475	1423	1.88
17	A	1452	1401	0.15
18	A	1411	1361	2.64
19	A	1406	1356	1.61
20	A	1351	1304	3.03
21	A	1310	1264	1.76
22	A	1273	1228	2.08
23	A	1120	1080	0.67
24	A	1097	1058	4.41
25	A	1053	1016	0.97
26	A	1022	986	0.28
27	A	1002	967	1.02
28	A	942	910	1.70
29	A	931	898	34.37
30	A	800	772	1.40
31	A	775	748	1.07
32	A	728	703	0.09
33	A	537	519	4.40
34	A	432	417	1.90
35	A	396	382	0.50
36	A	263	254	0.13
37	A	225	217	0.26
38	A	187	181	0.19
39	A	70	68	0.06

Atom	x (Å)	y (Å)	z (Å)
C1	0.999	1.327	0.022
H2	0.373	1.892	-0.679
H3	2.039	1.433	-0.296
H4	0.889	1.817	0.999
C5	-1.915	0.085	-0.396
H6	-1.881	1.170	-0.535
H7	-2.909	-0.167	-0.012
H8	-1.802	-0.383	-1.379
C9	-0.821	-0.403	0.571
H10	-0.938	-1.480	0.731
H11	-0.976	0.078	1.547
C12	0.587	-0.121	0.096
C13	1.424	-1.105	-0.232
H14	1.129	-2.149	-0.171
H15	2.435	-0.907	-0.573

	C1	H2	H3	H4	C5	H6	H7	H8	C9	H10	H11	C12	C13	H14	H15
C1		1.0965	1.0928	1.0978	3.1957	2.9382	4.1841	3.5690	2.5710	3.4838	2.7911	1.5079	2.4827	3.4839	2.7219
H2	1.0965		1.7698	1.7571	2.9294	2.3717	3.9311	3.2244	2.8731	3.8828	3.1732	2.1675	3.2071	4.1417	3.4777
H3	1.0928	1.7698		1.7741	4.1791	3.9366	5.2081	4.3850	3.5080	4.2902	3.7855	2.1631	2.6131	3.6978	2.3896
H4	1.0978	1.7571	1.7741		3.5789	3.2322	4.4025	4.2116	2.8350	3.7789	2.6088	2.1591	3.2156	4.1413	3.5043
C5	3.1957	2.9294	4.1791	3.5789		1.0943	1.0944	1.0946	1.5388	2.1618	2.1579	2.5582	3.5481	3.7822	4.4651
H6	2.9382	2.3717	3.9366	3.2322	1.0943		1.7650	1.7688	2.1952	3.0845	2.5195	2.8559	4.0236	4.4950	4.7899
H7	4.1841	3.9311	5.2081	4.4025	1.0944	1.7650		1.7716	2.1802	2.4824	2.4954	3.4977	4.4382	4.5007	5.4238
H8	3.5690	3.2244	4.3850	4.2116	1.0946	1.7688	1.7716		2.1827	2.5305	3.0753	2.8202	3.4991	3.6292	4.3449
C9	2.5710	2.8731	3.5080	2.8350	1.5388	2.1952	2.1802	2.1827		1.0952	1.0994	1.5126	2.4854	2.7204	3.4879
H10	3.4838	3.8828	4.2902	3.7789	2.1618	3.0845	2.4824	2.5305	1.0952		1.7591	2.1389	2.5774	2.3519	3.6611
H11	2.7911	3.1732	3.7855	2.6088	2.1579	2.5195	2.4954	3.0753	1.0994	1.7591		2.1421	3.2131	3.5127	4.1354
C12	1.5079	2.1675	2.1631	2.1591	2.5582	2.8559	3.4977	2.8202	1.5126	2.1389	2.1421		1.3329	2.1157	2.1168
C13	2.4827	3.2071	2.6131	3.2156	3.5481	4.0236	4.4382	3.4991	2.4854	2.5774	3.2131	1.3329		1.0857	1.0857
H14	3.4839	4.1417	3.6978	4.1413	3.7822	4.4950	4.5007	3.6292	2.7204	2.3519	3.5127	2.1157	1.0857		1.8463
H15	2.7219	3.4777	2.3896	3.5043	4.4651	4.7899	5.4238	4.3449	3.4879	3.6611	4.1354	2.1168	1.0857	1.8463

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C12	C9	116.437	C1	C12	C13	121.847
H2	C1	H3	107.945	H2	C1	H4	106.618
H2	C1	C12	111.548	H3	C1	H4	108.253
H3	C1	C12	111.401	H4	C1	C12	110.878
C5	C9	H10	109.270	C5	C9	H11	108.684
C5	C9	C12	113.772	H6	C5	H7	107.518
H6	C5	H8	107.857	H6	C5	C9	111.845
H7	C5	H8	108.049	H7	C5	C9	110.638
H8	C5	C9	110.778	C9	C12	C13	121.717
H10	C9	H11	106.679	H10	C9	C12	109.107
H11	C9	C12	109.088	C12	C13	H14	121.781
C12	C13	H15	121.884	H14	C13	H15	116.335

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

using model chemistry: G4

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	-0.469
2	H	0.126
3	H	0.120
4	H	0.121
5	C	-0.373
6	H	0.117
7	H	0.113
8	H	0.121
9	C	-0.257
10	H	0.100
11	H	0.098
12	C	0.397
13	C	-0.409
14	H	0.097
15	H	0.098

	x	y	z	Total
	-0.340	0.358	0.111	0.507
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>	143.683
(<r²>)^1/2	11.987

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

using model chemistry: G4

States and conformations

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