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	hartrees
Energy at 0K	-196.493015
Energy at 298.15K	-196.503184
HF Energy	-196.493015
Nuclear repulsion energy	175.717387

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3256	3102	19.92
2	A	3170	3020	10.38
3	A	3157	3007	22.01
4	A	3147	2998	44.23
5	A	3144	2995	34.40
6	A	3118	2970	20.63
7	A	3102	2955	14.60
8	A	3062	2917	33.04
9	A	3053	2908	29.96
10	A	3042	2898	31.33
11	A	1751	1668	25.26
12	A	1521	1449	6.18
13	A	1512	1441	10.72
14	A	1510	1438	9.14
15	A	1501	1430	12.72
16	A	1489	1418	7.72
17	A	1461	1392	0.32
18	A	1431	1363	8.44
19	A	1420	1353	5.19
20	A	1372	1307	0.91
21	A	1325	1262	1.43
22	A	1284	1223	1.03
23	A	1130	1076	0.66
24	A	1104	1052	5.53
25	A	1059	1009	0.43
26	A	1037	987	0.87
27	A	1011	963	0.67
28	A	955	909	1.49
29	A	924	880	55.79
30	A	814	776	1.99
31	A	787	749	1.10
32	A	715	681	0.46
33	A	542	516	9.42
34	A	444	423	1.69
35	A	411	392	0.87
36	A	263	250	0.31
37	A	220	210	0.71
38	A	168	160	0.45
39	A	74	71	0.07

Atom	x (Å)	y (Å)	z (Å)
C1	0.962	1.341	0.027
H2	0.334	1.875	-0.695
H3	2.006	1.473	-0.268
H4	0.814	1.825	1.000
C5	-1.900	0.072	-0.399
H6	-1.870	1.159	-0.518
H7	-2.895	-0.194	-0.030
H8	-1.770	-0.381	-1.387
C9	-0.817	-0.423	0.569
H10	-0.925	-1.503	0.715
H11	-0.975	0.048	1.549
C12	0.587	-0.118	0.101
C13	1.445	-1.088	-0.234
H14	1.169	-2.138	-0.176
H15	2.453	-0.867	-0.577

	C1	H2	H3	H4	C5	H6	H7	H8	C9	H10	H11	C12	C13	H14	H15
C1		1.0959	1.0930	1.0965	3.1595	2.8896	4.1515	3.5250	2.5632	3.4814	2.7816	1.5081	2.4898	3.4909	2.7319
H2	1.0959		1.7718	1.7621	2.8861	2.3240	3.8923	3.1611	2.8642	3.8708	3.1755	2.1612	3.1973	4.1315	3.4673
H3	1.0930	1.7718		1.7754	4.1515	3.8965	5.1821	4.3522	3.5020	4.2906	3.7704	2.1630	2.6211	3.7073	2.4019
H4	1.0965	1.7621	1.7754		3.5212	3.1549	4.3470	4.1523	2.8111	3.7661	2.5809	2.1532	3.2258	4.1493	3.5243
C5	3.1595	2.8861	4.1515	3.5212		1.0946	1.0943	1.0945	1.5344	2.1614	2.1561	2.5444	3.5438	3.7882	4.4564
H6	2.8896	2.3240	3.8965	3.1549	1.0946		1.7665	1.7711	2.1897	3.0826	2.5113	2.8383	4.0147	4.4972	4.7746
H7	4.1515	3.8923	5.1821	4.3470	1.0943	1.7665		1.7732	2.1747	2.4802	2.4972	3.4861	4.4359	4.5077	5.4180
H8	3.5250	3.1611	4.3522	4.1523	1.0945	1.7711	1.7732		2.1764	2.5284	3.0715	2.8002	3.4874	3.6319	4.3270
C9	2.5632	2.8642	3.5020	2.8111	1.5344	2.1897	2.1747	2.1764		1.0951	1.0983	1.5118	2.4909	2.7280	3.4936
H10	3.4814	3.8708	4.2906	3.7661	2.1614	3.0826	2.4802	2.5284	1.0951		1.7618	2.1405	2.5863	2.3625	3.6719
H11	2.7816	3.1755	3.7704	2.5809	2.1561	2.5113	2.4972	3.0715	1.0983	1.7618		2.1366	3.2134	3.5146	4.1363
C12	1.5081	2.1612	2.1630	2.1532	2.5444	2.8383	3.4861	2.8002	1.5118	2.1405	2.1366		1.3368	2.1199	2.1214
C13	2.4898	3.1973	2.6211	3.2258	3.5438	4.0147	4.4359	3.4874	2.4909	2.5863	3.2134	1.3368		1.0875	1.0873
H14	3.4909	4.1315	3.7073	4.1493	3.7882	4.4972	4.5077	3.6319	2.7280	2.3625	3.5146	2.1199	1.0875		1.8505
H15	2.7319	3.4673	2.4019	3.5243	4.4564	4.7746	5.4180	4.3270	3.4936	3.6719	4.1363	2.1214	1.0873	1.8505

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C12	C9	116.156	C1	C12	C13	122.011
H2	C1	H3	108.082	H2	C1	H4	106.977
H2	C1	C12	111.201	H3	C1	H4	108.365
H3	C1	C12	111.525	H4	C1	C12	110.524
C5	C9	H10	109.429	C5	C9	H11	108.833
C5	C9	C12	113.286	H6	C5	H7	107.613
H6	C5	H8	108.009	H6	C5	C9	111.703
H7	C5	H8	108.218	H7	C5	C9	110.524
H8	C5	C9	110.641	C9	C12	C13	121.831
H10	C9	H11	106.881	H10	C9	C12	109.350
H11	C9	C12	108.860	C12	C13	H14	121.618
C12	C13	H15	121.771	H14	C13	H15	116.611

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

using model chemistry: wB97X-D/cc-pVDZ

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	-0.653
2	H	0.163
3	H	0.160
4	H	0.164
5	C	-0.549
6	H	0.152
7	H	0.159
8	H	0.166
9	C	-0.208
10	H	0.148
11	H	0.154
12	C	0.280
13	C	-0.414
14	H	0.139
15	H	0.140

	x	y	z	Total
	-0.420	0.398	0.134	0.594
CHELPG
AIM
ESP

	x	y	z
x	9.982	-1.000	-0.477
y	-1.000	9.475	0.334
z	-0.477	0.334	7.411

<r²>	143.400
(<r²>)^1/2	11.975

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

using model chemistry: wB97X-D/cc-pVDZ

States and conformations

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