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	hartrees
Energy at 0K	-157.269958
Energy at 298.15K	-157.278626
HF Energy	-156.689066
Nuclear repulsion energy	125.812087

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3167	2959	53.65
2	A₁	3072	2870	35.60
3	A₁	1554	1452	15.27
4	A₁	1479	1382	1.53
5	A₁	1151	1076	0.10
6	A₁	793	741	0.92
7	A₁	280	262	3.08
8	A₂	3214	3003	0.00
9	A₂	1536	1435	0.00
10	A₂	999	933	0.00
11	A₂	159	149	0.00
12	E	3218	3007	38.32
12	E	3218	3007	38.32
13	E	3166	2959	9.70
13	E	3166	2959	9.70
14	E	3067	2865	28.81
14	E	3067	2865	28.81
15	E	1558	1456	2.03
15	E	1558	1456	2.03
16	E	1536	1435	2.54
16	E	1536	1435	2.54
17	E	1456	1361	4.13
17	E	1456	1361	4.13
18	E	1348	1259	4.68
18	E	1348	1259	4.68
19	E	1049	980	1.78
19	E	1049	980	1.78
20	E	969	906	0.27
20	E	969	906	0.27
21	E	385	360	0.08
21	E	385	360	0.08
22	E	164	153	0.00
22	E	164	153	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.191
C2	0.000	1.477	-0.021
C3	1.279	-0.739	-0.021
C4	-1.279	-0.739	-0.021
H5	0.000	1.729	-1.089
H6	1.497	-0.865	-1.089
H7	-1.497	-0.865	-1.089
H8	-0.883	1.943	0.415
H9	0.883	1.943	0.415
H10	2.124	-0.207	0.415
H11	1.241	-1.736	0.415
H12	-1.241	-1.736	0.415
H13	-2.124	-0.207	0.415

	C1	C2	C3	C4	H5	H6	H7	H8	H9	H10	H11	H12	H13
C1		1.4926	1.4926	1.4926	2.1514	2.1514	2.1514	2.1456	2.1456	2.1456	2.1456	2.1456	2.1456
C2	1.4926		2.5589	2.5589	1.0970	2.9778	2.9778	1.0892	1.0892	2.7453	3.4722	3.4722	2.7453
C3	1.4926	2.5589		2.5589	2.9778	1.0970	2.9778	3.4722	2.7453	1.0892	1.0892	2.7453	3.4722
C4	1.4926	2.5589	2.5589		2.9778	2.9778	1.0970	2.7453	3.4722	3.4722	2.7453	1.0892	1.0892
H5	2.1514	1.0970	2.9778	2.9778		2.9950	2.9950	1.7571	1.7571	3.2435	3.9761	3.9761	3.2435
H6	2.1514	2.9778	1.0970	2.9778	2.9950		2.9950	3.9761	3.2435	1.7571	1.7571	3.2435	3.9761
H7	2.1514	2.9778	2.9778	1.0970	2.9950	2.9950		3.2435	3.9761	3.9761	3.2435	1.7571	1.7571
H8	2.1456	1.0892	3.4722	2.7453	1.7571	3.9761	3.2435		1.7659	3.6959	4.2476	3.6959	2.4817
H9	2.1456	1.0892	2.7453	3.4722	1.7571	3.2435	3.9761	1.7659		2.4817	3.6959	4.2476	3.6959
H10	2.1456	2.7453	1.0892	3.4722	3.2435	1.7571	3.9761	3.6959	2.4817		1.7659	3.6959	4.2476
H11	2.1456	3.4722	1.0892	2.7453	3.9761	1.7571	3.2435	4.2476	3.6959	1.7659		2.4817	3.6959
H12	2.1456	3.4722	2.7453	1.0892	3.9761	3.2435	1.7571	3.6959	4.2476	3.6959	2.4817		1.7659
H13	2.1456	2.7453	3.4722	1.0892	3.2435	3.9761	1.7571	2.4817	3.6959	4.2476	3.6959	1.7659

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	111.445	C1	C2	H8	111.453
C1	C2	H9	111.453	C1	C3	H6	111.445
C1	C3	H10	111.453	C1	C3	H11	111.453
C1	C4	H7	111.445	C1	C4	H12	111.453
C1	C4	H13	111.453	C2	C1	C3	118.011
C2	C1	C4	118.011	C3	C1	C4	118.011
H5	C2	H8	106.973	H5	C2	H9	106.973
H6	C3	H10	106.973	H6	C3	H11	106.973
H7	C4	H12	106.973	H7	C4	H13	106.973
H8	C2	H9	108.316	H10	C3	H11	108.316
H12	C4	H13	108.316

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)