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	hartrees
Energy at 0K	-157.326291
Energy at 298.15K	-157.334952
HF Energy	-156.691099
Nuclear repulsion energy	125.588076

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3157	2941	50.96
2	A₁	3062	2853	61.90
3	A₁	1548	1442	19.27
4	A₁	1479	1378	1.92
5	A₁	1151	1072	1.47
6	A₁	790	736	1.59
7	A₁	287	267	3.01
8	A₂	3202	2983	0.00
9	A₂	1526	1422	0.00
10	A₂	997	929	0.00
11	A₂	148	138	0.00
12	E	3206	2987	44.65
12	E	3206	2987	44.65
13	E	3156	2940	15.82
13	E	3156	2940	15.82
14	E	3056	2847	33.63
14	E	3056	2847	33.63
15	E	1548	1442	3.68
15	E	1548	1442	3.68
16	E	1529	1424	2.87
16	E	1529	1424	2.87
17	E	1459	1359	5.72
17	E	1459	1359	5.72
18	E	1344	1252	4.14
18	E	1344	1252	4.14
19	E	1047	975	1.28
19	E	1047	975	1.28
20	E	967	901	0.34
20	E	967	901	0.34
21	E	383	356	0.19
21	E	383	356	0.19
22	E	166	154	0.01
22	E	166	154	0.01

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.176
C2	0.000	1.481	-0.019
C3	1.283	-0.740	-0.019
C4	-1.283	-0.740	-0.019
H5	0.000	1.753	-1.083
H6	1.518	-0.877	-1.083
H7	-1.518	-0.877	-1.083
H8	-0.883	1.939	0.424
H9	0.883	1.939	0.424
H10	2.121	-0.205	0.424
H11	1.238	-1.735	0.424
H12	-1.238	-1.735	0.424
H13	-2.121	-0.205	0.424

	C1	C2	C3	C4	H5	H6	H7	H8	H9	H10	H11	H12	H13
C1		1.4938	1.4938	1.4938	2.1585	2.1585	2.1585	2.1454	2.1454	2.1454	2.1454	2.1454	2.1454
C2	1.4938		2.5652	2.5652	1.0980	2.9992	2.9992	1.0893	1.0893	2.7455	3.4740	3.4740	2.7455
C3	1.4938	2.5652		2.5652	2.9992	1.0980	2.9992	3.4740	2.7455	1.0893	1.0893	2.7455	3.4740
C4	1.4938	2.5652	2.5652		2.9992	2.9992	1.0980	2.7455	3.4740	3.4740	2.7455	1.0893	1.0893
H5	2.1585	1.0980	2.9992	2.9992		3.0367	3.0367	1.7565	1.7565	3.2564	3.9960	3.9960	3.2564
H6	2.1585	2.9992	1.0980	2.9992	3.0367		3.0367	3.9960	3.2564	1.7565	1.7565	3.2564	3.9960
H7	2.1585	2.9992	2.9992	1.0980	3.0367	3.0367		3.2564	3.9960	3.9960	3.2564	1.7565	1.7565
H8	2.1454	1.0893	3.4740	2.7455	1.7565	3.9960	3.2564		1.7664	3.6911	4.2424	3.6911	2.4760
H9	2.1454	1.0893	2.7455	3.4740	1.7565	3.2564	3.9960	1.7664		2.4760	3.6911	4.2424	3.6911
H10	2.1454	2.7455	1.0893	3.4740	3.2564	1.7565	3.9960	3.6911	2.4760		1.7664	3.6911	4.2424
H11	2.1454	3.4740	1.0893	2.7455	3.9960	1.7565	3.2564	4.2424	3.6911	1.7664		2.4760	3.6911
H12	2.1454	3.4740	2.7455	1.0893	3.9960	3.2564	1.7565	3.6911	4.2424	3.6911	2.4760		1.7664
H13	2.1454	2.7455	3.4740	1.0893	3.2564	3.9960	1.7565	2.4760	3.6911	4.2424	3.6911	1.7664

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	111.870	C1	C2	H8	111.348
C1	C2	H9	111.348	C1	C3	H6	111.870
C1	C3	H10	111.348	C1	C3	H11	111.348
C1	C4	H7	111.870	C1	C4	H12	111.348
C1	C4	H13	111.348	C2	C1	C3	118.317
C2	C1	C4	118.317	C3	C1	C4	118.317
H5	C2	H8	106.843	H5	C2	H9	106.843
H6	C3	H10	106.843	H6	C3	H11	106.843
H7	C4	H12	106.843	H7	C4	H13	106.843
H8	C2	H9	108.350	H10	C3	H11	108.350
H12	C4	H13	108.350

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

using model chemistry: MP3=FULL/6-31+G**

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: MP3=FULL/6-31+G**

States and conformations

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