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	hartrees
Energy at 0K	-156.157057
Energy at 298.15K	-156.165719
HF Energy	-155.808196
Nuclear repulsion energy	124.408425

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3104	2953	44.45
2	A₁	3025	2878	34.48
3	A₁	1595	1517	19.33
4	A₁	1506	1433	1.06
5	A₁	1178	1121	0.55
6	A₁	737	701	0.65
7	A₁	264	251	4.57
8	A₂	3140	2987	0.00
9	A₂	1582	1505	0.00
10	A₂	1031	980	0.00
11	A₂	173	165	0.00
12	E	3145	2992	36.47
12	E	3145	2992	36.47
13	E	3102	2951	10.42
13	E	3102	2951	10.42
14	E	3021	2874	19.09
14	E	3021	2874	19.09
15	E	1600	1522	3.95
15	E	1600	1522	3.95
16	E	1578	1501	1.79
16	E	1578	1501	1.79
17	E	1481	1409	6.17
17	E	1481	1409	6.17
18	E	1319	1255	10.55
18	E	1319	1255	10.55
19	E	1041	990	1.23
19	E	1041	990	1.23
20	E	991	943	0.09
20	E	991	943	0.09
21	E	385	366	0.01
21	E	385	366	0.01
22	E	161	154	0.00
22	E	161	154	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.198
C2	0.000	1.498	-0.023
C3	1.298	-0.749	-0.023
C4	-1.298	-0.749	-0.023
H5	0.000	1.742	-1.099
H6	1.509	-0.871	-1.099
H7	-1.509	-0.871	-1.099
H8	-0.890	1.958	0.422
H9	0.890	1.958	0.422
H10	2.141	-0.208	0.422
H11	1.251	-1.750	0.422
H12	-1.251	-1.750	0.422
H13	-2.141	-0.208	0.422

	C1	C2	C3	C4	H5	H6	H7	H8	H9	H10	H11	H12	H13
C1		1.5147	1.5147	1.5147	2.1726	2.1726	2.1726	2.1627	2.1627	2.1627	2.1627	2.1627	2.1627
C2	1.5147		2.5953	2.5953	1.1032	3.0083	3.0083	1.0965	1.0965	2.7739	3.5093	3.5093	2.7739
C3	1.5147	2.5953		2.5953	3.0083	1.1032	3.0083	3.5093	2.7739	1.0965	1.0965	2.7739	3.5093
C4	1.5147	2.5953	2.5953		3.0083	3.0083	1.1032	2.7739	3.5093	3.5093	2.7739	1.0965	1.0965
H5	2.1726	1.1032	3.0083	3.0083		3.0180	3.0180	1.7757	1.7757	3.2715	4.0095	4.0095	3.2715
H6	2.1726	3.0083	1.1032	3.0083	3.0180		3.0180	4.0095	3.2715	1.7757	1.7757	3.2715	4.0095
H7	2.1726	3.0083	3.0083	1.1032	3.0180	3.0180		3.2715	4.0095	4.0095	3.2715	1.7757	1.7757
H8	2.1627	1.0965	3.5093	2.7739	1.7757	4.0095	3.2715		1.7805	3.7258	4.2819	3.7258	2.5015
H9	2.1627	1.0965	2.7739	3.5093	1.7757	3.2715	4.0095	1.7805		2.5015	3.7258	4.2819	3.7258
H10	2.1627	2.7739	1.0965	3.5093	3.2715	1.7757	4.0095	3.7258	2.5015		1.7805	3.7258	4.2819
H11	2.1627	3.5093	1.0965	2.7739	4.0095	1.7757	3.2715	4.2819	3.7258	1.7805		2.5015	3.7258
H12	2.1627	3.5093	2.7739	1.0965	4.0095	3.2715	1.7757	3.7258	4.2819	3.7258	2.5015		1.7805
H13	2.1627	2.7739	3.5093	1.0965	3.2715	4.0095	1.7757	2.5015	3.7258	4.2819	3.7258	1.7805

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	111.202	C1	C2	H8	110.817
C1	C2	H9	110.817	C1	C3	H6	111.202
C1	C3	H10	110.817	C1	C3	H11	110.817
C1	C4	H7	111.202	C1	C4	H12	110.817
C1	C4	H13	110.817	C2	C1	C3	117.894
C2	C1	C4	117.894	C3	C1	C4	117.894
H5	C2	H8	107.656	H5	C2	H9	107.656
H6	C3	H10	107.656	H6	C3	H11	107.656
H7	C4	H12	107.656	H7	C4	H13	107.656
H8	C2	H9	108.562	H10	C3	H11	108.562
H12	C4	H13	108.562

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

using model chemistry: MP2/3-21G*

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: MP2/3-21G*

States and conformations

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