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	hartrees
Energy at 0K	-157.229078
Energy at 298.15K	-157.237685
HF Energy	-156.674166
Nuclear repulsion energy	125.059005

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3102	2936	51.53
2	A₁	3016	2855	45.45
3	A₁	1546	1463	17.70
4	A₁	1480	1401	1.38
5	A₁	1149	1088	0.01
6	A₁	786	744	0.87
7	A₁	275	260	3.47
8	A₂	3142	2974	0.00
9	A₂	1531	1449	0.00
10	A₂	997	943	0.00
11	A₂	154	146	0.00
12	E	3147	2979	42.26
12	E	3147	2979	42.26
13	E	3100	2934	11.98
13	E	3100	2934	11.98
14	E	3009	2848	26.84
14	E	3009	2848	26.84
15	E	1551	1468	3.08
15	E	1551	1468	3.08
16	E	1528	1447	2.85
16	E	1528	1447	2.85
17	E	1460	1382	6.04
17	E	1460	1382	6.04
18	E	1346	1274	4.32
18	E	1346	1274	4.32
19	E	1043	987	2.38
19	E	1043	987	2.38
20	E	972	920	0.16
20	E	972	920	0.16
21	E	386	365	0.05
21	E	386	365	0.05
22	E	156	147	0.00
22	E	156	147	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.182
C2	0.000	1.486	-0.020
C3	1.287	-0.743	-0.020
C4	-1.287	-0.743	-0.020
H5	0.000	1.750	-1.093
H6	1.515	-0.875	-1.093
H7	-1.515	-0.875	-1.093
H8	-0.889	1.951	0.425
H9	0.889	1.951	0.425
H10	2.134	-0.205	0.425
H11	1.245	-1.745	0.425
H12	-1.245	-1.745	0.425
H13	-2.134	-0.205	0.425

	C1	C2	C3	C4	H5	H6	H7	H8	H9	H10	H11	H12	H13
C1		1.4998	1.4998	1.4998	2.1654	2.1654	2.1654	2.1573	2.1573	2.1573	2.1573	2.1573	2.1573
C2	1.4998		2.5740	2.5740	1.1050	3.0037	3.0037	1.0974	1.0974	2.7589	3.4913	3.4913	2.7589
C3	1.4998	2.5740		2.5740	3.0037	1.1050	3.0037	3.4913	2.7589	1.0974	1.0974	2.7589	3.4913
C4	1.4998	2.5740	2.5740		3.0037	3.0037	1.1050	2.7589	3.4913	3.4913	2.7589	1.0974	1.0974
H5	2.1654	1.1050	3.0037	3.0037		3.0307	3.0307	1.7707	1.7707	3.2680	4.0086	4.0086	3.2680
H6	2.1654	3.0037	1.1050	3.0037	3.0307		3.0307	4.0086	3.2680	1.7707	1.7707	3.2680	4.0086
H7	2.1654	3.0037	3.0037	1.1050	3.0307	3.0307		3.2680	4.0086	4.0086	3.2680	1.7707	1.7707
H8	2.1573	1.0974	3.4913	2.7589	1.7707	4.0086	3.2680		1.7783	3.7129	4.2676	3.7129	2.4893
H9	2.1573	1.0974	2.7589	3.4913	1.7707	3.2680	4.0086	1.7783		2.4893	3.7129	4.2676	3.7129
H10	2.1573	2.7589	1.0974	3.4913	3.2680	1.7707	4.0086	3.7129	2.4893		1.7783	3.7129	4.2676
H11	2.1573	3.4913	1.0974	2.7589	4.0086	1.7707	3.2680	4.2676	3.7129	1.7783		2.4893	3.7129
H12	2.1573	3.4913	2.7589	1.0974	4.0086	3.2680	1.7707	3.7129	4.2676	3.7129	2.4893		1.7783
H13	2.1573	2.7589	3.4913	1.0974	3.2680	4.0086	1.7707	2.4893	3.7129	4.2676	3.7129	1.7783

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	111.566	C1	C2	H8	111.383
C1	C2	H9	111.383	C1	C3	H6	111.566
C1	C3	H10	111.383	C1	C3	H11	111.383
C1	C4	H7	111.566	C1	C4	H12	111.383
C1	C4	H13	111.383	C2	C1	C3	118.206
C2	C1	C4	118.206	C3	C1	C4	118.206
H5	C2	H8	107.022	H5	C2	H9	107.022
H6	C3	H10	107.022	H6	C3	H11	107.022
H7	C4	H12	107.022	H7	C4	H13	107.022
H8	C2	H9	108.240	H10	C3	H11	108.240
H12	C4	H13	108.240

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

using model chemistry: CCD/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 C(CH3)3 (Tert-butyl radical)

using model chemistry: CCD/6-31G*

States and conformations

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