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	hartrees
Energy at 0K	-196.260088
Energy at 298.15K	-196.270073
Nuclear repulsion energy	174.724974

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3168	3125	19.77
2	A	3082	3040	9.31
3	A	3072	3030	23.04
4	A	3069	3027	23.84
5	A	3066	3024	36.38
6	A	3024	2982	21.70
7	A	3017	2975	14.72
8	A	2987	2946	27.14
9	A	2967	2926	25.17
10	A	2955	2914	28.21
11	A	1683	1660	14.11
12	A	1474	1454	2.60
13	A	1467	1447	5.01
14	A	1459	1439	10.22
15	A	1449	1429	10.03
16	A	1436	1417	2.29
17	A	1409	1389	0.19
18	A	1371	1352	3.74
19	A	1367	1349	3.50
20	A	1312	1294	1.60
21	A	1275	1257	2.45
22	A	1239	1222	1.92
23	A	1084	1069	0.76
24	A	1065	1050	6.15
25	A	1023	1009	1.01
26	A	1003	989	1.24
27	A	971	957	1.36
28	A	926	913	1.60
29	A	875	863	38.99
30	A	781	770	1.98
31	A	764	753	1.67
32	A	703	694	0.13
33	A	520	512	5.63
34	A	420	414	1.69
35	A	389	384	0.65
36	A	258	255	0.11
37	A	219	216	0.48
38	A	184	181	0.35
39	A	69	68	0.06

Atom	x (Å)	y (Å)	z (Å)
C1	0.984	1.339	0.026
H2	0.351	1.899	-0.685
H3	2.032	1.461	-0.288
H4	0.859	1.832	1.007
C5	-1.919	0.079	-0.394
H6	-1.891	1.174	-0.517
H7	-2.920	-0.185	-0.014
H8	-1.803	-0.375	-1.392
C9	-0.822	-0.419	0.565
H10	-0.930	-1.508	0.710
H11	-0.981	0.047	1.558
C12	0.588	-0.116	0.098
C13	1.446	-1.100	-0.233
H14	1.157	-2.154	-0.175
H15	2.464	-0.885	-0.572

	C1	H2	H3	H4	C5	H6	H7	H8	C9	H10	H11	C12	C13	H14	H15
C1		1.1047	1.1007	1.1057	3.1927	2.9308	4.1908	3.5658	2.5769	3.4976	2.8069	1.5096	2.4956	3.5032	2.7376
H2	1.1047		1.7821	1.7685	2.9240	2.3622	3.9353	3.2105	2.8825	3.8974	3.1992	2.1748	3.2242	4.1639	3.4972
H3	1.1007	1.7821		1.7866	4.1872	3.9403	5.2251	4.3926	3.5218	4.3103	3.8061	2.1724	2.6276	3.7213	2.4024
H4	1.1057	1.7685	1.7866		3.5719	3.2129	4.4037	4.2090	2.8440	3.8007	2.6226	2.1673	3.2375	4.1690	3.5292
C5	3.1927	2.9240	4.1872	3.5719		1.1022	1.1021	1.1022	1.5402	2.1712	2.1656	2.5629	3.5688	3.8075	4.4917
H6	2.9308	2.3622	3.9403	3.2129	1.1022		1.7765	1.7805	2.2027	3.1016	2.5304	2.8620	4.0477	4.5259	4.8179
H7	4.1908	3.9353	5.2251	4.4037	1.1021	1.7765		1.7835	2.1893	2.4970	2.5065	3.5107	4.4656	4.5304	5.4579
H8	3.5658	3.2105	4.3926	4.2090	1.1022	1.7805	1.7835		2.1899	2.5423	3.0909	2.8295	3.5246	3.6621	4.3754
C9	2.5769	2.8825	3.5218	2.8440	1.5402	2.2027	2.1893	2.1899		1.1037	1.1081	1.5159	2.4981	2.7338	3.5080
H10	3.4976	3.8974	4.3103	3.8007	2.1712	3.1016	2.4970	2.5423	1.1037		1.7717	2.1484	2.5878	2.3568	3.6807
H11	2.8069	3.1992	3.8061	2.6226	2.1656	2.5304	2.5065	3.0909	1.1081	1.7717		2.1499	3.2268	3.5241	4.1563
C12	1.5096	2.1748	2.1724	2.1673	2.5629	2.8620	3.5107	2.8295	1.5159	2.1484	2.1499		1.3461	2.1335	2.1350
C13	2.4956	3.2242	2.6276	3.2375	3.5688	4.0477	4.4656	3.5246	2.4981	2.5878	3.2268	1.3461		1.0947	1.0947
H14	3.5032	4.1639	3.7213	4.1690	3.8075	4.5259	4.5304	3.6621	2.7338	2.3568	3.5241	2.1335	1.0947		1.8647
H15	2.7376	3.4972	2.4024	3.5292	4.4917	4.8179	5.4579	4.3754	3.5080	3.6807	4.1563	2.1350	1.0947	1.8647

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C12	C9	116.802	C1	C12	C13	121.725
H2	C1	H3	107.818	H2	C1	H4	106.282
H2	C1	C12	111.654	H3	C1	H4	108.142
H3	C1	C12	111.708	H4	C1	C12	110.997
C5	C9	H10	109.292	C5	C9	H11	108.619
C5	C9	C12	113.982	H6	C5	H7	107.398
H6	C5	H8	107.742	H6	C5	C9	111.864
H7	C5	H8	108.011	H7	C5	C9	110.809
H8	C5	C9	110.847	C9	C12	C13	121.473
H10	C9	H11	106.454	H10	C9	C12	109.177
H11	C9	C12	109.046	C12	C13	H14	121.529
C12	C13	H15	121.682	H14	C13	H15	116.788

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

using model chemistry: PBEPBE/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	-0.416
2	H	0.132
3	H	0.125
4	H	0.128
5	C	-0.366
6	H	0.121
7	H	0.120
8	H	0.128
9	C	-0.266
10	H	0.115
11	H	0.117
12	C	0.177
13	C	-0.309
14	H	0.098
15	H	0.097

	x	y	z	Total
	-0.366	0.390	0.102	0.544
CHELPG
AIM
ESP

	x	y	z
x	9.436	-0.799	-0.727
y	-0.799	8.952	0.347
z	-0.727	0.347	6.179

<r²>	144.538
(<r²>)^1/2	12.022

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

using model chemistry: PBEPBE/6-31G**

States and conformations

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