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	hartrees
Energy at 0K	-157.153946
Energy at 298.15K	-157.162618
HF Energy	-156.674759
Nuclear repulsion energy	125.487177

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3177	2935	54.24
2	A₁	3092	2856	50.37
3	A₁	1584	1463	17.64
4	A₁	1518	1402	1.56
5	A₁	1173	1083	0.04
6	A₁	799	738	0.92
7	A₁	281	260	3.37
8	A₂	3214	2969	0.00
9	A₂	1566	1446	0.00
10	A₂	1020	942	0.00
11	A₂	153	141	0.00
12	E	3220	2974	46.07
12	E	3220	2974	46.08
13	E	3173	2931	12.78
13	E	3173	2931	12.79
14	E	3084	2849	27.54
14	E	3084	2849	27.55
15	E	1587	1466	3.05
15	E	1587	1466	3.05
16	E	1566	1446	2.79
16	E	1566	1446	2.79
17	E	1497	1383	5.79
17	E	1497	1383	5.78
18	E	1371	1267	4.55
18	E	1371	1267	4.54
19	E	1065	984	2.32
19	E	1065	984	2.32
20	E	994	918	0.10
20	E	994	918	0.10
21	E	392	362	0.06
21	E	392	362	0.06
22	E	158	146	0.01
22	E	158	146	0.01

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.187
C2	0.000	1.482	-0.021
C3	1.284	-0.741	-0.021
C4	-1.284	-0.741	-0.021
H5	0.000	1.740	-1.089
H6	1.507	-0.870	-1.089
H7	-1.507	-0.870	-1.089
H8	-0.884	1.946	0.420
H9	0.884	1.946	0.420
H10	2.127	-0.208	0.420
H11	1.244	-1.738	0.420
H12	-1.244	-1.738	0.420
H13	-2.127	-0.208	0.420

	C1	C2	C3	C4	H5	H6	H7	H8	H9	H10	H11	H12	H13
C1		1.4967	1.4967	1.4967	2.1569	2.1569	2.1569	2.1503	2.1503	2.1503	2.1503	2.1503	2.1503
C2	1.4967		2.5674	2.5674	1.0983	2.9904	2.9904	1.0910	1.0910	2.7527	3.4806	3.4806	2.7527
C3	1.4967	2.5674		2.5674	2.9904	1.0983	2.9904	3.4806	2.7527	1.0910	1.0910	2.7527	3.4806
C4	1.4967	2.5674	2.5674		2.9904	2.9904	1.0983	2.7527	3.4806	3.4806	2.7527	1.0910	1.0910
H5	2.1569	1.0983	2.9904	2.9904		3.0131	3.0131	1.7603	1.7603	3.2549	3.9899	3.9899	3.2549
H6	2.1569	2.9904	1.0983	2.9904	3.0131		3.0131	3.9899	3.2549	1.7603	1.7603	3.2549	3.9899
H7	2.1569	2.9904	2.9904	1.0983	3.0131	3.0131		3.2549	3.9899	3.9899	3.2549	1.7603	1.7603
H8	2.1503	1.0910	3.4806	2.7527	1.7603	3.9899	3.2549		1.7672	3.7024	4.2549	3.7024	2.4877
H9	2.1503	1.0910	2.7527	3.4806	1.7603	3.2549	3.9899	1.7672		2.4877	3.7024	4.2549	3.7024
H10	2.1503	2.7527	1.0910	3.4806	3.2549	1.7603	3.9899	3.7024	2.4877		1.7672	3.7024	4.2549
H11	2.1503	3.4806	1.0910	2.7527	3.9899	1.7603	3.2549	4.2549	3.7024	1.7672		2.4877	3.7024
H12	2.1503	3.4806	2.7527	1.0910	3.9899	3.2549	1.7603	3.7024	4.2549	3.7024	2.4877		1.7672
H13	2.1503	2.7527	3.4806	1.0910	3.2549	3.9899	1.7603	2.4877	3.7024	4.2549	3.7024	1.7672

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	111.515	C1	C2	H8	111.428
C1	C2	H9	111.428	C1	C3	H6	111.515
C1	C3	H10	111.428	C1	C3	H11	111.428
C1	C4	H7	111.515	C1	C4	H12	111.428
C1	C4	H13	111.428	C2	C1	C3	118.112
C2	C1	C4	118.112	C3	C1	C4	118.112
H5	C2	H8	107.033	H5	C2	H9	107.033
H6	C3	H10	107.033	H6	C3	H11	107.033
H7	C4	H12	107.033	H7	C4	H13	107.033
H8	C2	H9	108.175	H10	C3	H11	108.175
H12	C4	H13	108.175

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

using model chemistry: CID/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: CID/6-31G*

States and conformations

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