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	hartrees
Energy at 0K	-157.235731
Energy at 298.15K	-157.244381
HF Energy	-156.701967
Nuclear repulsion energy	125.467559

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3110	2955	51.82
2	A₁	3011	2861	52.41
3	A₁	1536	1460	26.92
4	A₁	1460	1388	3.59
5	A₁	1138	1082	0.16
6	A₁	786	747	1.76
7	A₁	287	273	3.62
8	A₂	3157	3000	0.00
9	A₂	1510	1434	0.00
10	A₂	986	937	0.00
11	A₂	150	143	0.00
12	E	3161	3003	39.46
12	E	3161	3003	39.46
13	E	3109	2954	12.57
13	E	3109	2954	12.57
14	E	3006	2856	29.86
14	E	3006	2856	29.86
15	E	1536	1459	4.55
15	E	1536	1459	4.55
16	E	1513	1437	4.56
16	E	1513	1437	4.56
17	E	1438	1367	11.56
17	E	1438	1367	11.56
18	E	1330	1264	4.53
18	E	1330	1264	4.53
19	E	1038	987	2.16
19	E	1038	987	2.16
20	E	956	908	0.12
20	E	956	908	0.12
21	E	384	365	0.06
21	E	384	365	0.06
22	E	166	158	0.02
22	E	166	158	0.02

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.180
C2	0.000	1.480	-0.019
C3	1.282	-0.740	-0.019
C4	-1.282	-0.740	-0.019
H5	0.000	1.750	-1.089
H6	1.516	-0.875	-1.089
H7	-1.516	-0.875	-1.089
H8	-0.887	1.944	0.423
H9	0.887	1.944	0.423
H10	2.127	-0.204	0.423
H11	1.240	-1.740	0.423
H12	-1.240	-1.740	0.423
H13	-2.127	-0.204	0.423

	C1	C2	C3	C4	H5	H6	H7	H8	H9	H10	H11	H12	H13
C1		1.4935	1.4935	1.4935	2.1614	2.1614	2.1614	2.1505	2.1505	2.1505	2.1505	2.1505	2.1505
C2	1.4935		2.5638	2.5638	1.1029	2.9980	2.9980	1.0940	1.0940	2.7489	3.4789	3.4789	2.7489
C3	1.4935	2.5638		2.5638	2.9980	1.1029	2.9980	3.4789	2.7489	1.0940	1.0940	2.7489	3.4789
C4	1.4935	2.5638	2.5638		2.9980	2.9980	1.1029	2.7489	3.4789	3.4789	2.7489	1.0940	1.0940
H5	2.1614	1.1029	2.9980	2.9980		3.0312	3.0312	1.7631	1.7631	3.2600	4.0004	4.0004	3.2600
H6	2.1614	2.9980	1.1029	2.9980	3.0312		3.0312	4.0004	3.2600	1.7631	1.7631	3.2600	4.0004
H7	2.1614	2.9980	2.9980	1.1029	3.0312	3.0312		3.2600	4.0004	4.0004	3.2600	1.7631	1.7631
H8	2.1505	1.0940	3.4789	2.7489	1.7631	4.0004	3.2600		1.7734	3.7009	4.2539	3.7009	2.4805
H9	2.1505	1.0940	2.7489	3.4789	1.7631	3.2600	4.0004	1.7734		2.4805	3.7009	4.2539	3.7009
H10	2.1505	2.7489	1.0940	3.4789	3.2600	1.7631	4.0004	3.7009	2.4805		1.7734	3.7009	4.2539
H11	2.1505	3.4789	1.0940	2.7489	4.0004	1.7631	3.2600	4.2539	3.7009	1.7734		2.4805	3.7009
H12	2.1505	3.4789	2.7489	1.0940	4.0004	3.2600	1.7631	3.7009	4.2539	3.7009	2.4805		1.7734
H13	2.1505	2.7489	3.4789	1.0940	3.2600	4.0004	1.7631	2.4805	3.7009	4.2539	3.7009	1.7734

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	111.818	C1	C2	H8	111.492
C1	C2	H9	111.492	C1	C3	H6	111.818
C1	C3	H10	111.492	C1	C3	H11	111.492
C1	C4	H7	111.818	C1	C4	H12	111.492
C1	C4	H13	111.492	C2	C1	C3	118.254
C2	C1	C4	118.254	C3	C1	C4	118.254
H5	C2	H8	106.744	H5	C2	H9	106.744
H6	C3	H10	106.744	H6	C3	H11	106.744
H7	C4	H12	106.744	H7	C4	H13	106.744
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: MP2/6-311G*

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: MP2/6-311G*

States and conformations

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