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	hartrees
Energy at 0K	-196.455687
Energy at 298.15K	-196.466681
HF Energy	-195.724390
Nuclear repulsion energy	182.713221

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3235	3022	27.22
2	A	3228	3016	22.03
3	A	3223	3012	38.09
4	A	3216	3005	19.04
5	A	3174	2966	22.36
6	A	3165	2958	24.73
7	A	3143	2937	21.79
8	A	3133	2928	21.36
9	A	3069	2867	37.36
10	A	3065	2864	26.72
11	A	3041	2842	33.78
12	A	1573	1469	1.27
13	A	1564	1461	4.83
14	A	1556	1454	2.30
15	A	1550	1448	14.92
16	A	1544	1443	1.18
17	A	1537	1436	2.53
18	A	1529	1429	0.09
19	A	1470	1374	3.68
20	A	1465	1369	1.10
21	A	1456	1360	3.65
22	A	1427	1333	0.02
23	A	1356	1267	1.01
24	A	1324	1237	5.04
25	A	1292	1208	5.76
26	A	1157	1082	1.09
27	A	1111	1038	0.21
28	A	1081	1010	3.78
29	A	1027	960	0.54
30	A	1018	952	1.23
31	A	976	912	0.46
32	A	969	906	0.35
33	A	792	740	0.98
34	A	768	717	1.38
35	A	465	434	0.62
36	A	388	363	0.08
37	A	316	295	1.78
38	A	293	274	0.02
39	A	222	207	0.77
40	A	152	142	0.00
41	A	142	132	0.05
42	A	69	65	0.07

Atom	x (Å)	y (Å)	z (Å)
C1	-0.586	1.475	0.067
H2	0.276	1.998	-0.341
H3	-1.480	1.885	-0.400
H4	-0.636	1.726	1.134
C5	2.049	-0.042	-0.163
H6	2.183	0.908	0.348
H7	2.905	-0.669	0.078
H8	2.060	0.147	-1.235
C9	0.749	-0.726	0.250
H10	0.720	-1.731	-0.177
H11	0.760	-0.874	1.340
C12	-0.503	-0.002	-0.140
C13	-1.779	-0.777	-0.099
H14	-1.652	-1.777	-0.513
H15	-2.140	-0.900	0.930
H16	-2.570	-0.275	-0.654

	C1	H2	H3	H4	C5	H6	H7	H8	C9	H10	H11	C12	C13	H14	H15	H16
C1		1.0882	1.0888	1.0974	3.0492	2.8401	4.0968	3.2343	2.5804	3.4698	2.9910	1.4937	2.5540	3.4706	2.9668	2.7417
H2	1.0882		1.7605	1.7559	2.7086	2.3016	3.7682	2.7217	2.8271	3.7585	3.3625	2.1561	3.4622	4.2423	3.9820	3.6558
H3	1.0888	1.7605		1.7579	4.0276	3.8636	5.0969	4.0308	3.4939	4.2380	3.9565	2.1407	2.6962	3.6677	3.1569	2.4328
H4	1.0974	1.7559	1.7579		3.4675	3.0391	4.4041	3.9217	2.9521	3.9383	2.9583	2.1517	3.0156	4.0020	3.0337	3.3077
C5	3.0492	2.7086	4.0276	3.4675		1.0875	1.0882	1.0884	1.5258	2.1488	2.1480	2.5527	3.8987	4.1023	4.4138	4.6508
H6	2.8401	2.3016	3.8636	3.0391	1.0875		1.7556	1.7608	2.1761	3.0626	2.4868	2.8779	4.3288	4.7599	4.7221	4.9993
H7	4.0968	3.7682	5.0969	4.4041	1.0882	1.7556		1.7619	2.1636	2.4428	2.4974	3.4799	4.6889	4.7269	5.1219	5.5379
H8	3.2343	2.7217	4.0308	3.9217	1.0884	1.7608	1.7619		2.1649	2.5379	3.0602	2.7915	4.1094	4.2431	4.8403	4.6855
C9	2.5804	2.8271	3.4939	2.9521	1.5258	2.1761	2.1636	2.1649		1.0923	1.1001	1.4982	2.5528	2.7298	2.9734	3.4695
H10	3.4698	3.7585	4.2380	3.9383	2.1488	3.0626	2.4428	2.5379	1.0923		1.7432	2.1178	2.6759	2.3960	3.1773	3.6291
H11	2.9910	3.3625	3.9565	2.9583	2.1480	2.4868	2.4974	3.0602	1.1001	1.7432		2.1322	2.9199	3.1727	2.9289	3.9272
C12	1.4937	2.1561	2.1407	2.1517	2.5527	2.8779	3.4799	2.7915	1.4982	2.1178	2.1322		1.4935	2.1466	2.1522	2.1470
C13	2.5540	3.4622	2.6962	3.0156	3.8987	4.3288	4.6889	4.1094	2.5528	2.6759	2.9199	1.4935		1.0893	1.0971	1.0893
H14	3.4706	4.2423	3.6677	4.0020	4.1023	4.7599	4.7269	4.2431	2.7298	2.3960	3.1727	2.1466	1.0893		1.7572	1.7660
H15	2.9668	3.9820	3.1569	3.0337	4.4138	4.7221	5.1219	4.8403	2.9734	3.1773	2.9289	2.1522	1.0971	1.7572		1.7568
H16	2.7417	3.6558	2.4328	3.3077	4.6508	4.9993	5.5379	4.6855	3.4695	3.6291	3.9272	2.1470	1.0893	1.7660	1.7568

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C12	C9	119.189	C1	C12	C13	117.517
H2	C1	H3	107.940	H2	C1	H4	106.916
H2	C1	C12	112.304	H3	C1	H4	107.051
H3	C1	C12	111.008	H4	C1	C12	111.367
C5	C9	H10	109.202	C5	C9	H11	108.687
C5	C9	C12	115.162	H6	C5	H7	107.597
H6	C5	H8	108.035	H6	C5	C9	111.657
H7	C5	H8	108.095	H7	C5	C9	110.614
H8	C5	C9	110.703	C9	C12	C13	117.140
H10	C9	H11	105.337	H10	C9	C12	108.664
H11	C9	C12	109.337	C12	C13	H14	111.463
C12	C13	H15	111.438	C12	C13	H16	111.495
H14	C13	H15	106.967	H14	C13	H16	108.313
H15	C13	H16	106.932

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

using model chemistry: MP2=FULL/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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All results from a given calculation for C5H11 (2-Methylbut-2-yl radical)

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

States and conformations

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