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	hartrees
Energy at 0K	-34.397087
Energy at 298.15K	-34.407987
HF Energy	-33.800383
Nuclear repulsion energy	103.323517

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3189	3027	42.92
2	A	3181	3020	18.59
3	A	3179	3018	76.76
4	A	3175	3014	12.23
5	A	3136	2977	36.31
6	A	3129	2971	31.55
7	A	3119	2961	22.01
8	A	3085	2929	30.31
9	A	3034	2880	44.89
10	A	3031	2878	35.92
11	A	3020	2867	40.42
12	A	1539	1461	0.96
13	A	1527	1449	7.86
14	A	1520	1444	3.76
15	A	1518	1441	22.85
16	A	1510	1434	1.54
17	A	1503	1427	4.54
18	A	1497	1421	0.69
19	A	1446	1372	7.12
20	A	1444	1371	0.35
21	A	1437	1364	10.10
22	A	1406	1335	0.80
23	A	1337	1269	1.61
24	A	1301	1235	4.91
25	A	1267	1203	7.07
26	A	1143	1085	0.44
27	A	1098	1043	0.16
28	A	1067	1013	4.92
29	A	1009	958	2.15
30	A	1001	951	1.68
31	A	963	914	0.61
32	A	950	902	0.06
33	A	777	738	1.35
34	A	762	723	2.26
35	A	450	428	0.68
36	A	376	357	0.04
37	A	311	295	4.24
38	A	287	273	0.17
39	A	223	211	1.21
40	A	149	142	0.01
41	A	139	132	0.04
42	A	79	75	0.12

Atom	x (Å)	y (Å)	z (Å)
C1	-0.577	1.496	0.068
H2	0.276	2.030	-0.387
H3	-1.508	1.920	-0.347
H4	-0.563	1.721	1.158
C5	2.075	-0.044	-0.143
H6	2.203	0.898	0.418
H7	2.937	-0.695	0.092
H8	2.103	0.191	-1.222
C9	0.750	-0.752	0.228
H10	0.730	-1.754	-0.243
H11	0.730	-0.928	1.328
C12	-0.509	-0.002	-0.182
C13	-1.813	-0.773	-0.081
H14	-1.704	-1.798	-0.480
H15	-2.142	-0.864	0.978
H16	-2.624	-0.266	-0.634

	C1	H2	H3	H4	C5	H6	H7	H8	C9	H10	H11	C12	C13	H14	H15	H16
C1		1.1040	1.1048	1.1128	3.0740	2.8645	4.1405	3.2484	2.6152	3.5164	3.0282	1.5198	2.5886	3.5244	2.9747	2.7908
H2	1.1040		1.7878	1.7846	2.7566	2.3753	3.8386	2.7241	2.8882	3.8137	3.4491	2.1871	3.5093	4.3105	4.0106	3.7066
H3	1.1048	1.7878		1.7885	4.0916	3.9246	5.1758	4.0988	3.5455	4.3031	3.9910	2.1722	2.7235	3.7254	3.1478	2.4706
H4	1.1128	1.7846	1.7885		3.4309	2.9792	4.3844	3.8883	2.9509	3.9638	2.9533	2.1836	3.0532	4.0462	3.0351	3.3778
C5	3.0740	2.7566	4.0916	3.4309		1.1039	1.1050	1.1047	1.5477	2.1784	2.1807	2.5848	3.9571	4.1803	4.4408	4.7303
H6	2.8645	2.3753	3.9246	2.9792	1.1039		1.7839	1.7890	2.2067	3.1050	2.5166	2.9193	4.3787	4.8311	4.7224	5.0755
H7	4.1405	3.8386	5.1758	4.3844	1.1050	1.7839		1.7907	2.1915	2.4708	2.5397	3.5252	4.7539	4.8043	5.1586	5.6244
H8	3.2484	2.7241	4.0988	3.8883	1.1047	1.7890	1.7907		2.1960	2.5746	3.1049	2.8180	4.1920	4.3591	4.8970	4.7856
C9	2.6152	2.8882	3.5455	2.9509	1.5477	2.2067	2.1915	2.1960		1.1071	1.1141	1.5219	2.5822	2.7602	2.9905	3.5164
H10	3.5164	3.8137	4.3031	3.9638	2.1784	3.1050	2.4708	2.5746	1.1071		1.7741	2.1467	2.7304	2.4457	3.2451	3.6900
H11	3.0282	3.4491	3.9910	2.9533	2.1807	2.5166	2.5397	3.1049	1.1141	1.7741		2.1618	2.9115	3.1542	2.8944	3.9419
C12	1.5198	2.1871	2.1722	2.1836	2.5848	2.9193	3.5252	2.8180	1.5219	2.1467	2.1618		1.5193	2.1783	2.1817	2.1792
C13	2.5886	3.5093	2.7235	3.0532	3.9571	4.3787	4.7539	4.1920	2.5822	2.7304	2.9115	1.5193		1.1051	1.1125	1.1052
H14	3.5244	4.3105	3.7254	4.0462	4.1803	4.8311	4.8043	4.3591	2.7602	2.4457	3.1542	2.1783	1.1051		1.7861	1.7939
H15	2.9747	4.0106	3.1478	3.0351	4.4408	4.7224	5.1586	4.8970	2.9905	3.2451	2.8944	2.1817	1.1125	1.7861		1.7861
H16	2.7908	3.7066	2.4706	3.3778	4.7303	5.0755	5.6244	4.7856	3.5164	3.6900	3.9419	2.1792	1.1052	1.7939	1.7861

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C12	C9	118.581	C1	C12	C13	116.810
H2	C1	H3	108.080	H2	C1	H4	107.231
H2	C1	C12	111.959	H3	C1	H4	107.515
H3	C1	C12	110.718	H4	C1	C12	111.146
C5	C9	H10	109.156	C5	C9	H11	108.937
C5	C9	C12	114.712	H6	C5	H7	107.730
H6	C5	H8	108.202	H6	C5	C9	111.561
H7	C5	H8	108.271	H7	C5	C9	110.292
H8	C5	C9	110.667	C9	C12	C13	116.221
H10	C9	H11	106.015	H10	C9	C12	108.448
H11	C9	C12	109.217	C12	C13	H14	111.217
C12	C13	H15	111.045	C12	C13	H16	111.288
H14	C13	H15	107.303	H14	C13	H16	108.510
H15	C13	H16	107.299

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

using model chemistry: MP2/CEP-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/CEP-31G*

States and conformations

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