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	hartrees
Energy at 0K	-156.959689
Energy at 298.15K	-156.968048
HF Energy	-156.627632
Nuclear repulsion energy	123.118518

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3065	2959	87.76
2	A₁	2968	2865	42.40
3	A₁	1531	1478	25.99
4	A₁	1471	1420	1.19
5	A₁	1144	1105	0.76
6	A₁	745	719	0.57
7	A₁	273	264	7.13
8	A₂	3108	3000	0.00
9	A₂	1521	1468	0.00
10	A₂	996	961	0.00
11	A₂	84	81	0.00
12	E	3115	3007	59.77
12	E	3115	3007	59.77
13	E	3063	2956	12.67
13	E	3063	2956	12.67
14	E	2963	2860	45.15
14	E	2963	2860	45.15
15	E	1539	1486	5.57
15	E	1539	1486	5.57
16	E	1515	1463	4.52
16	E	1515	1463	4.52
17	E	1449	1399	13.23
17	E	1449	1399	13.23
18	E	1322	1276	11.68
18	E	1322	1276	11.68
19	E	1030	994	1.69
19	E	1030	994	1.69
20	E	972	938	0.00
20	E	972	938	0.00
21	E	374	361	0.01
21	E	374	361	0.01
22	E	130	125	0.00
22	E	130	125	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.184
C2	0.000	1.516	-0.021
C3	1.313	-0.758	-0.021
C4	-1.313	-0.758	-0.021
H5	0.000	1.783	-1.102
H6	1.544	-0.892	-1.102
H7	-1.544	-0.892	-1.102
H8	-0.897	1.978	0.432
H9	0.897	1.978	0.432
H10	2.161	-0.212	0.432
H11	1.264	-1.765	0.432
H12	-1.264	-1.765	0.432
H13	-2.161	-0.212	0.432

	C1	C2	C3	C4	H5	H6	H7	H8	H9	H10	H11	H12	H13
C1		1.5296	1.5296	1.5296	2.1986	2.1986	2.1986	2.1855	2.1855	2.1855	2.1855	2.1855	2.1855
C2	1.5296		2.6254	2.6254	1.1134	3.0575	3.0575	1.1056	1.1056	2.8039	3.5453	3.5453	2.8039
C3	1.5296	2.6254		2.6254	3.0575	1.1134	3.0575	3.5453	2.8039	1.1056	1.1056	2.8039	3.5453
C4	1.5296	2.6254	2.6254		3.0575	3.0575	1.1134	2.8039	3.5453	3.5453	2.8039	1.1056	1.1056
H5	2.1986	1.1134	3.0575	3.0575		3.0887	3.0887	1.7871	1.7871	3.3174	4.0673	4.0673	3.3174
H6	2.1986	3.0575	1.1134	3.0575	3.0887		3.0887	4.0673	3.3174	1.7871	1.7871	3.3174	4.0673
H7	2.1986	3.0575	3.0575	1.1134	3.0887	3.0887		3.3174	4.0673	4.0673	3.3174	1.7871	1.7871
H8	2.1855	1.1056	3.5453	2.8039	1.7871	4.0673	3.3174		1.7931	3.7610	4.3220	3.7610	2.5289
H9	2.1855	1.1056	2.8039	3.5453	1.7871	3.3174	4.0673	1.7931		2.5289	3.7610	4.3220	3.7610
H10	2.1855	2.8039	1.1056	3.5453	3.3174	1.7871	4.0673	3.7610	2.5289		1.7931	3.7610	4.3220
H11	2.1855	3.5453	1.1056	2.8039	4.0673	1.7871	3.3174	4.3220	3.7610	1.7931		2.5289	3.7610
H12	2.1855	3.5453	2.8039	1.1056	4.0673	3.3174	1.7871	3.7610	4.3220	3.7610	2.5289		1.7931
H13	2.1855	2.8039	3.5453	1.1056	3.3174	4.0673	1.7871	2.5289	3.7610	4.3220	3.7610	1.7931

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	111.613	C1	C2	H8	111.042
C1	C2	H9	111.042	C1	C3	H6	111.613
C1	C3	H10	111.042	C1	C3	H11	111.042
C1	C4	H7	111.613	C1	C4	H12	111.042
C1	C4	H13	111.042	C2	C1	C3	118.229
C2	C1	C4	118.229	C3	C1	C4	118.229
H5	C2	H8	107.297	H5	C2	H9	107.297
H6	C3	H10	107.297	H6	C3	H11	107.298
H7	C4	H12	107.298	H7	C4	H13	107.297
H8	C2	H9	108.370	H10	C3	H11	108.370
H12	C4	H13	108.370

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

using model chemistry: MP2/SDD

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/SDD

States and conformations

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