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	hartrees
Energy at 0K	-196.324612
Energy at 298.15K	-196.334592
HF Energy	-196.324612
Nuclear repulsion energy	175.294723

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3148	3110	17.90
2	A	3064	3027	10.03
3	A	3051	3014	19.02
4	A	3046	3009	34.19
5	A	3042	3005	28.91
6	A	3005	2968	16.78
7	A	2999	2962	13.18
8	A	2972	2936	28.02
9	A	2955	2919	25.49
10	A	2941	2906	24.88
11	A	1662	1641	21.89
12	A	1457	1439	3.33
13	A	1449	1432	5.91
14	A	1443	1425	13.44
15	A	1433	1416	11.57
16	A	1421	1403	2.64
17	A	1396	1379	0.19
18	A	1356	1339	5.13
19	A	1354	1338	5.46
20	A	1300	1285	1.03
21	A	1269	1254	1.40
22	A	1232	1217	1.08
23	A	1078	1065	0.95
24	A	1059	1046	4.58
25	A	1015	1003	0.36
26	A	998	986	0.75
27	A	966	955	1.15
28	A	920	909	2.37
29	A	884	873	41.40
30	A	778	769	1.92
31	A	760	751	1.30
32	A	703	695	0.20
33	A	522	516	7.60
34	A	419	414	1.69
35	A	388	383	0.85
36	A	255	252	0.30
37	A	215	212	0.53
38	A	181	179	0.21
39	A	70	69	0.06

Atom	x (Å)	y (Å)	z (Å)
C1	0.980	1.337	0.023
H2	0.353	1.884	-0.697
H3	2.027	1.452	-0.282
H4	0.846	1.829	0.999
C5	-1.910	0.074	-0.398
H6	-1.883	1.164	-0.532
H7	-2.908	-0.188	-0.020
H8	-1.787	-0.391	-1.386
C9	-0.819	-0.410	0.572
H10	-0.926	-1.492	0.732
H11	-0.975	0.074	1.551
C12	0.588	-0.117	0.100
C13	1.437	-1.099	-0.233
H14	1.150	-2.150	-0.171
H15	2.451	-0.889	-0.578

	C1	H2	H3	H4	C5	H6	H7	H8	C9	H10	H11	C12	C13	H14	H15
C1		1.1002	1.0969	1.1011	3.1818	2.9218	4.1761	3.5533	2.5667	3.4837	2.7841	1.5079	2.4911	3.4962	2.7346
H2	1.1002		1.7782	1.7664	2.9128	2.3550	3.9218	3.1981	2.8710	3.8822	3.1765	2.1667	3.2073	4.1452	3.4792
H3	1.0969	1.7782		1.7827	4.1732	3.9293	5.2069	4.3778	3.5067	4.2914	3.7779	2.1636	2.6187	3.7091	2.3972
H4	1.1011	1.7664	1.7827		3.5534	3.1992	4.3814	4.1889	2.8226	3.7738	2.5888	2.1592	3.2309	4.1587	3.5283
C5	3.1818	2.9128	4.1732	3.5534		1.0982	1.0984	1.0984	1.5380	2.1679	2.1616	2.5544	3.5508	3.7897	4.4701
H6	2.9218	2.3550	3.9293	3.1992	1.0982		1.7717	1.7762	2.1973	3.0935	2.5203	2.8546	4.0294	4.5070	4.7964
H7	4.1761	3.9218	5.2069	4.3814	1.0984	1.7717		1.7778	2.1822	2.4889	2.5043	3.4983	4.4444	4.5094	5.4332
H8	3.5533	3.1981	4.3778	4.1889	1.0984	1.7762	1.7778		2.1839	2.5375	3.0819	2.8150	3.4969	3.6327	4.3436
C9	2.5667	2.8710	3.5067	2.8226	1.5380	2.1973	2.1822	2.1839		1.0994	1.1030	1.5123	2.4926	2.7306	3.4994
H10	3.4837	3.8822	4.2914	3.7738	2.1679	3.0935	2.4889	2.5375	1.0994		1.7681	2.1400	2.5822	2.3568	3.6717
H11	2.7841	3.1765	3.7779	2.5888	2.1616	2.5203	2.5043	3.0819	1.1030	1.7681		2.1408	3.2211	3.5250	4.1469
C12	1.5079	2.1667	2.1636	2.1592	2.5544	2.8546	3.4983	2.8150	1.5123	2.1400	2.1408		1.3400	2.1263	2.1277
C13	2.4911	3.2073	2.6187	3.2309	3.5508	4.0294	4.4444	3.4969	2.4926	2.5822	3.2211	1.3400		1.0916	1.0915
H14	3.4962	4.1452	3.7091	4.1587	3.7897	4.5070	4.5094	3.6327	2.7306	2.3568	3.5250	2.1263	1.0916		1.8575
H15	2.7346	3.4792	2.3972	3.5283	4.4701	4.7964	5.4332	4.3436	3.4994	3.6717	4.1469	2.1277	1.0915	1.8575

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C12	C9	116.386	C1	C12	C13	121.911
H2	C1	H3	108.062	H2	C1	H4	106.723
H2	C1	C12	111.395	H3	C1	H4	108.393
H3	C1	C12	111.350	H4	C1	C12	110.741
C5	C9	H10	109.440	C5	C9	H11	108.745
C5	C9	C12	113.734	H6	C5	H7	107.519
H6	C5	H8	107.916	H6	C5	C9	111.835
H7	C5	H8	108.044	H7	C5	C9	110.618
H8	C5	C9	110.756	C9	C12	C13	121.704
H10	C9	H11	106.800	H10	C9	C12	109.020
H11	C9	C12	108.871	C12	C13	H14	121.624
C12	C13	H15	121.772	H14	C13	H15	116.604

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

using model chemistry: PBEPBE/Def2TZVPP

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	-0.227
2	H	0.085
3	H	0.076
4	H	0.081
5	C	-0.256
6	H	0.077
7	H	0.079
8	H	0.086
9	C	-0.063
10	H	0.058
11	H	0.058
12	C	0.005
13	C	-0.204
14	H	0.073
15	H	0.073

	x	y	z	Total
	-0.396	0.400	0.137	0.579
CHELPG
AIM
ESP

	x	y	z
x	10.892	-0.833	-0.500
y	-0.833	10.233	0.295
z	-0.500	0.295	7.814

<r²>	144.310
(<r²>)^1/2	12.013

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

using model chemistry: PBEPBE/Def2TZVPP

States and conformations

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