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	hartrees
Energy at 0K	-196.464012
Energy at 298.15K	-196.475037
HF Energy	-195.726504
Nuclear repulsion energy	182.696211

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3223	3027	26.89
2	A	3214	3019	19.72
3	A	3213	3018	43.94
4	A	3207	3012	18.23
5	A	3163	2971	22.57
6	A	3154	2962	26.09
7	A	3136	2946	21.96
8	A	3121	2931	27.54
9	A	3047	2862	52.76
10	A	3043	2858	33.27
11	A	3019	2835	43.98
12	A	1557	1463	1.69
13	A	1548	1453	7.39
14	A	1538	1445	6.04
15	A	1537	1443	19.16
16	A	1526	1433	2.35
17	A	1522	1429	3.44
18	A	1512	1420	0.02
19	A	1458	1369	6.00
20	A	1455	1367	1.65
21	A	1444	1356	6.50
22	A	1419	1333	0.21
23	A	1347	1265	1.02
24	A	1312	1232	4.33
25	A	1284	1206	4.73
26	A	1153	1083	2.41
27	A	1105	1038	0.06
28	A	1077	1011	3.60
29	A	1019	957	0.26
30	A	1013	951	0.92
31	A	971	912	0.77
32	A	960	901	0.32
33	A	789	741	0.67
34	A	767	721	2.07
35	A	464	436	0.47
36	A	387	363	0.13
37	A	324	305	1.94
38	A	290	272	0.01
39	A	224	211	0.69
40	A	159	149	0.00
41	A	149	140	0.08
42	A	73	69	0.10

Atom	x (Å)	y (Å)	z (Å)
C1	-0.590	1.472	0.067
H2	0.266	2.005	-0.344
H3	-1.492	1.883	-0.384
H4	-0.628	1.707	1.140
C5	2.052	-0.043	-0.161
H6	2.180	0.917	0.337
H7	2.906	-0.666	0.101
H8	2.076	0.128	-1.237
C9	0.748	-0.721	0.249
H10	0.721	-1.732	-0.164
H11	0.747	-0.850	1.344
C12	-0.502	-0.003	-0.157
C13	-1.778	-0.779	-0.096
H14	-1.653	-1.784	-0.497
H15	-2.127	-0.886	0.940
H16	-2.574	-0.282	-0.650

	C1	H2	H3	H4	C5	H6	H7	H8	C9	H10	H11	C12	C13	H14	H15	H16
C1		1.0886	1.0893	1.0992	3.0541	2.8377	4.0978	3.2577	2.5756	3.4696	2.9683	1.4943	2.5502	3.4716	2.9476	2.7443
H2	1.0886		1.7626	1.7582	2.7238	2.3051	3.7821	2.7564	2.8317	3.7691	3.3519	2.1579	3.4622	4.2501	3.9669	3.6595
H3	1.0893	1.7626		1.7609	4.0400	3.8650	5.1064	4.0669	3.4930	4.2443	3.9331	2.1417	2.6922	3.6722	3.1344	2.4352
H4	1.0992	1.7582	1.7609		3.4552	3.0254	4.3815	3.9312	2.9296	3.9176	2.9106	2.1497	3.0048	3.9901	3.0022	3.3093
C5	3.0541	2.7238	4.0400	3.4552		1.0882	1.0890	1.0894	1.5268	2.1511	2.1498	2.5551	3.9008	4.1081	4.4038	4.6587
H6	2.8377	2.3051	3.8650	3.0254	1.0882		1.7572	1.7635	2.1773	3.0652	2.4878	2.8781	4.3271	4.7625	4.7079	5.0014
H7	4.0978	3.7821	5.1064	4.3815	1.0890	1.7572		1.7635	2.1635	2.4454	2.4975	3.4816	4.6889	4.7318	5.1070	5.5446
H8	3.2577	2.7564	4.0669	3.9312	1.0894	1.7635	1.7635		2.1665	2.5388	3.0631	2.7983	4.1198	4.2552	4.8408	4.7049
C9	2.5756	2.8317	3.4930	2.9296	1.5268	2.1773	2.1635	2.1665		1.0925	1.1018	1.4982	2.5498	2.7299	2.9614	3.4698
H10	3.4696	3.7691	4.2443	3.9176	2.1511	3.0652	2.4454	2.5388	1.0925		1.7471	2.1182	2.6753	2.3978	3.1696	3.6326
H11	2.9683	3.3519	3.9331	2.9106	2.1498	2.4878	2.4975	3.0631	1.1018	1.7471		2.1287	2.9073	3.1658	2.9025	3.9152
C12	1.4943	2.1579	2.1417	2.1497	2.5551	2.8781	3.4816	2.7983	1.4982	2.1182	2.1287		1.4941	2.1478	2.1504	2.1481
C13	2.5502	3.4622	2.6922	3.0048	3.9008	4.3271	4.6889	4.1198	2.5498	2.6753	2.9073	1.4941		1.0898	1.0989	1.0898
H14	3.4716	4.2501	3.6722	3.9901	4.1081	4.7625	4.7318	4.2552	2.7299	2.3978	3.1658	2.1478	1.0898		1.7601	1.7683
H15	2.9476	3.9669	3.1344	3.0022	4.4038	4.7079	5.1070	4.8408	2.9614	3.1696	2.9025	2.1504	1.0989	1.7601		1.7590
H16	2.7443	3.6595	2.4352	3.3093	4.6587	5.0014	5.5446	4.7049	3.4698	3.6326	3.9152	2.1481	1.0898	1.7683	1.7590

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C12	C9	118.784	C1	C12	C13	117.161
H2	C1	H3	108.061	H2	C1	H4	106.951
H2	C1	C12	112.374	H3	C1	H4	107.143
H3	C1	C12	111.017	H4	C1	C12	111.052
C5	C9	H10	109.302	C5	C9	H11	108.659
C5	C9	C12	115.268	H6	C5	H7	107.620
H6	C5	H8	108.152	H6	C5	C9	111.643
H7	C5	H8	108.103	H7	C5	C9	110.490
H8	C5	C9	110.700	C9	C12	C13	116.889
H10	C9	H11	105.533	H10	C9	C12	108.682
H11	C9	C12	108.955	C12	C13	H14	111.495
C12	C13	H15	111.143	C12	C13	H16	111.516
H14	C13	H15	107.059	H14	C13	H16	108.445
H15	C13	H16	106.961

All results from a given calculation for C₅H₁₁ (2-Methylbut-2-yl radical)

using model chemistry: MP2=FULL/6-31+G**

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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All results from a given calculation for C5H11 (2-Methylbut-2-yl radical)

using model chemistry: MP2=FULL/6-31+G**

States and conformations

All results from a given calculation for C₅H₁₁ (2-Methylbut-2-yl radical)