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	hartrees
Energy at 0K	-196.531944
Energy at 298.15K	-196.542825
HF Energy	-195.733078
Nuclear repulsion energy	182.507211

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3206	3028	18.81
2	A	3200	3022	16.13
3	A	3195	3017	24.83
4	A	3187	3011	13.26
5	A	3146	2972	14.56
6	A	3138	2963	17.70
7	A	3120	2947	16.18
8	A	3109	2936	16.51
9	A	3043	2874	27.53
10	A	3040	2872	21.44
11	A	3020	2852	26.04
12	A	1541	1456	1.23
13	A	1532	1447	5.49
14	A	1524	1439	2.84
15	A	1518	1434	17.32
16	A	1511	1427	1.39
17	A	1504	1421	2.62
18	A	1496	1413	0.09
19	A	1434	1355	4.10
20	A	1428	1349	2.26
21	A	1419	1340	5.55
22	A	1394	1317	0.18
23	A	1331	1257	1.53
24	A	1296	1224	5.04
25	A	1267	1197	6.40
26	A	1129	1066	0.73
27	A	1093	1032	0.14
28	A	1061	1002	5.04
29	A	1004	948	1.01
30	A	997	941	1.56
31	A	961	908	0.46
32	A	945	893	0.36
33	A	775	732	1.43
34	A	757	715	1.33
35	A	452	427	0.71
36	A	379	358	0.05
37	A	307	290	1.80
38	A	289	273	0.06
39	A	216	204	0.91
40	A	143	135	0.01
41	A	133	125	0.05
42	A	68	64	0.06

Atom	x (Å)	y (Å)	z (Å)
C1	-0.578	1.476	0.067
H2	0.285	1.998	-0.350
H3	-1.477	1.894	-0.389
H4	-0.614	1.730	1.138
C5	2.048	-0.044	-0.162
H6	2.180	0.906	0.356
H7	2.908	-0.672	0.077
H8	2.061	0.153	-1.236
C9	0.746	-0.734	0.248
H10	0.715	-1.739	-0.184
H11	0.756	-0.886	1.340
C12	-0.503	-0.002	-0.141
C13	-1.784	-0.771	-0.098
H14	-1.663	-1.776	-0.508
H15	-2.148	-0.890	0.933
H16	-2.576	-0.266	-0.655

	C1	H2	H3	H4	C5	H6	H7	H8	C9	H10	H11	C12	C13	H14	H15	H16
C1		1.0911	1.0916	1.1004	3.0427	2.8307	4.0941	3.2268	2.5821	3.4746	2.9963	1.4950	2.5561	3.4770	2.9688	2.7476
H2	1.0911		1.7657	1.7586	2.7049	2.2986	3.7671	2.7103	2.8344	3.7659	3.3760	2.1603	3.4661	4.2509	3.9883	3.6611
H3	1.0916	1.7657		1.7612	4.0290	3.8608	5.1016	4.0333	3.4999	4.2478	3.9624	2.1458	2.6980	3.6766	3.1537	2.4373
H4	1.1004	1.7586	1.7612		3.4529	3.0159	4.3926	3.9084	2.9511	3.9429	2.9598	2.1557	3.0249	4.0127	3.0424	3.3232
C5	3.0427	2.7049	4.0290	3.4529		1.0904	1.0910	1.0914	1.5292	2.1561	2.1527	2.5513	3.9005	4.1100	4.4177	4.6552
H6	2.8307	2.2986	3.8608	3.0159	1.0904		1.7595	1.7648	2.1809	3.0714	2.4914	2.8758	4.3279	4.7657	4.7206	5.0013
H7	4.0941	3.7671	5.1016	4.3926	1.0910	1.7595		1.7662	2.1697	2.4528	2.5044	3.4828	4.6961	4.7391	5.1320	5.5473
H8	3.2268	2.7103	4.0333	3.9084	1.0914	1.7648	1.7662		2.1717	2.5489	3.0685	2.7923	4.1148	4.2572	4.8481	4.6920
C9	2.5821	2.8344	3.4999	2.9511	1.5292	2.1809	2.1697	2.1717		1.0947	1.1026	1.4985	2.5535	2.7318	2.9775	3.4738
H10	3.4746	3.7659	4.2478	3.9429	2.1561	3.0714	2.4528	2.5489	1.0947		1.7467	2.1218	2.6812	2.4007	3.1880	3.6363
H11	2.9963	3.3760	3.9624	2.9598	2.1527	2.4914	2.5044	3.0685	1.1026	1.7467		2.1351	2.9206	3.1714	2.9314	3.9323
C12	1.4950	2.1603	2.1458	2.1557	2.5513	2.8758	3.4828	2.7923	1.4985	2.1218	2.1351		1.4946	2.1514	2.1557	2.1518
C13	2.5561	3.4661	2.6980	3.0249	3.9005	4.3279	4.6961	4.1148	2.5535	2.6812	2.9206	1.4946		1.0922	1.1002	1.0922
H14	3.4770	4.2509	3.6766	4.0127	4.1100	4.7657	4.7391	4.2572	2.7318	2.4007	3.1714	2.1514	1.0922		1.7600	1.7710
H15	2.9688	3.9883	3.1537	3.0424	4.4177	4.7206	5.1320	4.8481	2.9775	3.1880	2.9314	2.1557	1.1002	1.7600		1.7596
H16	2.7476	3.6611	2.4373	3.3232	4.6552	5.0013	5.5473	4.6920	3.4738	3.6363	3.9323	2.1518	1.0922	1.7710	1.7596

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C12	C9	119.213	C1	C12	C13	117.521
H2	C1	H3	107.984	H2	C1	H4	106.727
H2	C1	C12	112.366	H3	C1	H4	106.918
H3	C1	C12	111.155	H4	C1	C12	111.414
C5	C9	H10	109.397	C5	C9	H11	108.679
C5	C9	C12	114.835	H6	C5	H7	107.525
H6	C5	H8	107.972	H6	C5	C9	111.620
H7	C5	H8	108.056	H7	C5	C9	110.692
H8	C5	C9	110.828	C9	C12	C13	117.104
H10	C9	H11	105.292	H10	C9	C12	108.814
H11	C9	C12	109.393	C12	C13	H14	111.605
C12	C13	H15	111.453	C12	C13	H16	111.639
H14	C13	H15	106.787	H14	C13	H16	108.342
H15	C13	H16	106.756

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

using model chemistry: MP2/6-31G(2df,p)

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: MP2/6-31G(2df,p)

States and conformations

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