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	hartrees
Energy at 0K	-27.620925
Energy at 298.15K	-27.629513
HF Energy	-27.148944
Nuclear repulsion energy	71.652110

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3133	2974	75.93
2	A₁	3036	2883	41.34
3	A₁	1521	1444	23.46
4	A₁	1451	1378	2.33
5	A₁	1136	1079	0.46
6	A₁	788	748	1.14
7	A₁	286	272	6.71
8	A₂	3174	3014	0.00
9	A₂	1499	1423	0.00
10	A₂	976	927	0.00
11	A₂	150	142	0.00
12	E	3178	3017	48.74
12	E	3178	3017	48.74
13	E	3130	2971	12.54
13	E	3130	2971	12.54
14	E	3033	2879	37.01
14	E	3033	2879	37.01
15	E	1524	1447	2.46
15	E	1524	1447	2.46
16	E	1501	1425	4.73
16	E	1501	1425	4.73
17	E	1438	1365	11.03
17	E	1438	1365	11.03
18	E	1323	1256	7.09
18	E	1323	1256	7.09
19	E	1037	984	2.48
19	E	1037	984	2.48
20	E	949	901	0.00
20	E	949	901	0.00
21	E	371	352	0.02
21	E	371	352	0.02
22	E	166	158	0.00
22	E	166	158	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.229
C2	0.000	1.498	-0.026
C3	1.297	-0.749	-0.026
C4	-1.297	-0.749	-0.026
H5	0.000	1.718	-1.116
H6	1.488	-0.859	-1.116
H7	-1.488	-0.859	-1.116
H8	-0.897	1.976	0.407
H9	0.897	1.976	0.407
H10	2.160	-0.211	0.407
H11	1.263	-1.765	0.407
H12	-1.263	-1.765	0.407
H13	-2.160	-0.211	0.407

	C1	C2	C3	C4	H5	H6	H7	H8	H9	H10	H11	H12	H13
C1		1.5191	1.5191	1.5191	2.1821	2.1821	2.1821	2.1778	2.1778	2.1778	2.1778	2.1778	2.1778
C2	1.5191		2.5940	2.5940	1.1125	2.9929	2.9929	1.1052	1.1052	2.7883	3.5254	3.5254	2.7883
C3	1.5191	2.5940		2.5940	2.9929	1.1125	2.9929	3.5254	2.7883	1.1052	1.1052	2.7883	3.5254
C4	1.5191	2.5940	2.5940		2.9929	2.9929	1.1125	2.7883	3.5254	3.5254	2.7883	1.1052	1.1052
H5	2.1821	1.1125	2.9929	2.9929		2.9761	2.9761	1.7868	1.7868	3.2728	4.0063	4.0063	3.2728
H6	2.1821	2.9929	1.1125	2.9929	2.9761		2.9761	4.0063	3.2728	1.7868	1.7868	3.2728	4.0063
H7	2.1821	2.9929	2.9929	1.1125	2.9761	2.9761		3.2728	4.0063	4.0063	3.2728	1.7868	1.7868
H8	2.1778	1.1052	3.5254	2.7883	1.7868	4.0063	3.2728		1.7940	3.7593	4.3203	3.7593	2.5263
H9	2.1778	1.1052	2.7883	3.5254	1.7868	3.2728	4.0063	1.7940		2.5263	3.7593	4.3203	3.7593
H10	2.1778	2.7883	1.1052	3.5254	3.2728	1.7868	4.0063	3.7593	2.5263		1.7940	3.7593	4.3203
H11	2.1778	3.5254	1.1052	2.7883	4.0063	1.7868	3.2728	4.3203	3.7593	1.7940		2.5263	3.7593
H12	2.1778	3.5254	2.7883	1.1052	4.0063	3.2728	1.7868	3.7593	4.3203	3.7593	2.5263		1.7940
H13	2.1778	2.7883	3.5254	1.1052	3.2728	4.0063	1.7868	2.5263	3.7593	4.3203	3.7593	1.7940

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	111.084	C1	C2	H8	111.184
C1	C2	H9	111.184	C1	C3	H6	111.084
C1	C3	H10	111.184	C1	C3	H11	111.184
C1	C4	H7	111.084	C1	C4	H12	111.184
C1	C4	H13	111.184	C2	C1	C3	117.249
C2	C1	C4	117.249	C3	C1	C4	117.249
H5	C2	H8	107.355	H5	C2	H9	107.355
H6	C3	H10	107.355	H6	C3	H11	107.355
H7	C4	H12	107.355	H7	C4	H13	107.355
H8	C2	H9	108.507	H10	C3	H11	108.507
H12	C4	H13	108.507

All results from a given calculation for C(CH₃)₃ (Tert-butyl 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 C(CH3)3 (Tert-butyl radical)

using model chemistry: MP2/CEP-31G*

States and conformations

All results from a given calculation for C(CH₃)₃ (Tert-butyl radical)