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	hartrees
Energy at 0K	-157.309902
Energy at 298.15K	-157.318573
HF Energy	-156.701958
Nuclear repulsion energy	125.584451

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3112	2948	50.89
2	A₁	3013	2853	52.30
3	A₁	1537	1456	27.30
4	A₁	1462	1384	3.70
5	A₁	1140	1079	0.14
6	A₁	789	747	1.77
7	A₁	288	273	3.65
8	A₂	3159	2992	0.00
9	A₂	1510	1430	0.00
10	A₂	987	935	0.00
11	A₂	154	146	0.00
12	E	3163	2996	38.89
12	E	3163	2996	38.89
13	E	3111	2947	12.55
13	E	3111	2947	12.55
14	E	3008	2848	29.64
14	E	3008	2848	29.64
15	E	1536	1455	4.51
15	E	1536	1455	4.51
16	E	1513	1433	4.78
16	E	1513	1433	4.78
17	E	1440	1364	12.12
17	E	1440	1364	12.12
18	E	1333	1262	4.34
18	E	1333	1262	4.34
19	E	1040	985	2.24
19	E	1040	985	2.24
20	E	957	906	0.12
20	E	957	906	0.12
21	E	385	365	0.06
21	E	385	365	0.06
22	E	168	159	0.02
22	E	168	159	0.02

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.202
C2	0.000	1.478	-0.021
C3	1.280	-0.739	-0.021
C4	-1.280	-0.739	-0.021
H5	0.000	1.719	-1.097
H6	1.489	-0.860	-1.097
H7	-1.489	-0.860	-1.097
H8	-0.886	1.950	0.411
H9	0.886	1.950	0.411
H10	2.132	-0.208	0.411
H11	1.246	-1.743	0.411
H12	-1.246	-1.743	0.411
H13	-2.132	-0.208	0.411

	C1	C2	C3	C4	H5	H6	H7	H8	H9	H10	H11	H12	H13
C1		1.4945	1.4945	1.4945	2.1546	2.1546	2.1546	2.1523	2.1523	2.1523	2.1523	2.1523	2.1523
C2	1.4945		2.5595	2.5595	1.1023	2.9727	2.9727	1.0934	1.0934	2.7519	3.4798	3.4798	2.7519
C3	1.4945	2.5595		2.5595	2.9727	1.1023	2.9727	3.4798	2.7519	1.0934	1.0934	2.7519	3.4798
C4	1.4945	2.5595	2.5595		2.9727	2.9727	1.1023	2.7519	3.4798	3.4798	2.7519	1.0934	1.0934
H5	2.1546	1.1023	2.9727	2.9727		2.9779	2.9779	1.7641	1.7641	3.2453	3.9762	3.9762	3.2453
H6	2.1546	2.9727	1.1023	2.9727	2.9779		2.9779	3.9762	3.2453	1.7641	1.7641	3.2453	3.9762
H7	2.1546	2.9727	2.9727	1.1023	2.9779	2.9779		3.2453	3.9762	3.9762	3.2453	1.7641	1.7641
H8	2.1523	1.0934	3.4798	2.7519	1.7641	3.9762	3.2453		1.7724	3.7103	4.2641	3.7103	2.4917
H9	2.1523	1.0934	2.7519	3.4798	1.7641	3.2453	3.9762	1.7724		2.4917	3.7103	4.2641	3.7103
H10	2.1523	2.7519	1.0934	3.4798	3.2453	1.7641	3.9762	3.7103	2.4917		1.7724	3.7103	4.2641
H11	2.1523	3.4798	1.0934	2.7519	3.9762	1.7641	3.2453	4.2641	3.7103	1.7724		2.4917	3.7103
H12	2.1523	3.4798	2.7519	1.0934	3.9762	3.2453	1.7641	3.7103	4.2641	3.7103	2.4917		1.7724
H13	2.1523	2.7519	3.4798	1.0934	3.2453	3.9762	1.7641	2.4917	3.7103	4.2641	3.7103	1.7724

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	111.243	C1	C2	H8	111.611
C1	C2	H9	111.611	C1	C3	H6	111.243
C1	C3	H10	111.611	C1	C3	H11	111.611
C1	C4	H7	111.243	C1	C4	H12	111.611
C1	C4	H13	111.611	C2	C1	C3	117.813
C2	C1	C4	117.813	C3	C1	C4	117.813
H5	C2	H8	106.921	H5	C2	H9	106.921
H6	C3	H10	106.921	H6	C3	H11	106.921
H7	C4	H12	106.921	H7	C4	H13	106.921
H8	C2	H9	108.291	H10	C3	H11	108.291
H12	C4	H13	108.291

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

using model chemistry: MP2=FULL/6-311G*

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=FULL/6-311G*

States and conformations

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