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	hartrees
Energy at 0K	-157.195794
Energy at 298.15K	-157.204473
HF Energy	-156.674364
Nuclear repulsion energy	125.576675

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3137	2955	47.32
2	A₁	3043	2868	37.56
3	A₁	1557	1467	19.00
4	A₁	1485	1399	1.82
5	A₁	1157	1090	0.00
6	A₁	793	747	0.98
7	A₁	282	266	3.66
8	A₂	3182	2998	0.00
9	A₂	1540	1451	0.00
10	A₂	1002	944	0.00
11	A₂	165	155	0.00
12	E	3186	3002	36.37
12	E	3186	3002	36.37
13	E	3136	2955	10.16
13	E	3136	2955	10.16
14	E	3038	2863	25.89
14	E	3038	2863	25.89
15	E	1562	1472	3.14
15	E	1562	1472	3.14
16	E	1539	1450	3.08
16	E	1539	1450	3.08
17	E	1462	1378	6.80
17	E	1462	1378	6.80
18	E	1352	1273	4.74
18	E	1352	1273	4.74
19	E	1051	990	2.32
19	E	1051	990	2.32
20	E	974	917	0.16
20	E	974	917	0.16
21	E	388	366	0.04
21	E	388	366	0.04
22	E	165	156	0.00
22	E	165	156	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.191
C2	0.000	1.478	-0.021
C3	1.280	-0.739	-0.021
C4	-1.280	-0.739	-0.021
H5	0.000	1.733	-1.093
H6	1.501	-0.866	-1.093
H7	-1.501	-0.866	-1.093
H8	-0.887	1.945	0.418
H9	0.887	1.945	0.418
H10	2.128	-0.204	0.418
H11	1.241	-1.741	0.418
H12	-1.241	-1.741	0.418
H13	-2.128	-0.204	0.418

	C1	C2	C3	C4	H5	H6	H7	H8	H9	H10	H11	H12	H13
C1		1.4933	1.4933	1.4933	2.1570	2.1570	2.1570	2.1500	2.1500	2.1500	2.1500	2.1500	2.1500
C2	1.4933		2.5603	2.5603	1.1024	2.9832	2.9832	1.0944	1.0944	2.7483	3.4778	3.4778	2.7483
C3	1.4933	2.5603		2.5603	2.9832	1.1024	2.9832	3.4778	2.7483	1.0944	1.0944	2.7483	3.4778
C4	1.4933	2.5603	2.5603		2.9832	2.9832	1.1024	2.7483	3.4778	3.4778	2.7483	1.0944	1.0944
H5	2.1570	1.1024	2.9832	2.9832		3.0014	3.0014	1.7656	1.7656	3.2507	3.9865	3.9865	3.2507
H6	2.1570	2.9832	1.1024	2.9832	3.0014		3.0014	3.9865	3.2507	1.7656	1.7656	3.2507	3.9865
H7	2.1570	2.9832	2.9832	1.1024	3.0014	3.0014		3.2507	3.9865	3.9865	3.2507	1.7656	1.7656
H8	2.1500	1.0944	3.4778	2.7483	1.7656	3.9865	3.2507		1.7741	3.7030	4.2563	3.7030	2.4822
H9	2.1500	1.0944	2.7483	3.4778	1.7656	3.2507	3.9865	1.7741		2.4822	3.7030	4.2563	3.7030
H10	2.1500	2.7483	1.0944	3.4778	3.2507	1.7656	3.9865	3.7030	2.4822		1.7741	3.7030	4.2563
H11	2.1500	3.4778	1.0944	2.7483	3.9865	1.7656	3.2507	4.2563	3.7030	1.7741		2.4822	3.7030
H12	2.1500	3.4778	2.7483	1.0944	3.9865	3.2507	1.7656	3.7030	4.2563	3.7030	2.4822		1.7741
H13	2.1500	2.7483	3.4778	1.0944	3.2507	3.9865	1.7656	2.4822	3.7030	4.2563	3.7030	1.7741

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	111.514	C1	C2	H8	111.435
C1	C2	H9	111.435	C1	C3	H6	111.514
C1	C3	H10	111.435	C1	C3	H11	111.435
C1	C4	H7	111.514	C1	C4	H12	111.435
C1	C4	H13	111.435	C2	C1	C3	118.020
C2	C1	C4	118.020	C3	C1	C4	118.020
H5	C2	H8	106.969	H5	C2	H9	106.969
H6	C3	H10	106.970	H6	C3	H11	106.970
H7	C4	H12	106.970	H7	C4	H13	106.970
H8	C2	H9	108.287	H10	C3	H11	108.287
H12	C4	H13	108.287

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

using model chemistry: MP2=FULL/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: MP2=FULL/6-31G*

States and conformations

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