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	hartrees
Energy at 0K	-157.330239
Energy at 298.15K	-157.322840
HF Energy	-156.696025
Nuclear repulsion energy	125.622026

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.192	0.000
C2	1.479	-0.020	0.000
C3	-0.739	-0.020	1.280
C4	-0.739	-0.020	-1.280
H5	1.731	-1.091	0.000
H6	-0.866	-1.091	1.499
H7	-0.866	-1.091	-1.499
H8	1.947	0.414	-0.885
H9	1.947	0.414	0.885
H10	-0.207	0.414	2.129
H11	-1.740	0.414	1.244
H12	-1.740	0.414	-1.244
H13	-0.207	0.414	-2.129

	C1	C2	C3	C4	H5	H6	H7	H8	H9	H10	H11	H12	H13
C1		1.4938	1.4938	1.4938	2.1549	2.1549	2.1549	2.1507	2.1507	2.1507	2.1507	2.1507	2.1507
C2	1.4938		2.5610	2.5610	1.1002	2.9814	2.9814	1.0921	1.0921	2.7500	3.4782	3.4782	2.7500
C3	1.4938	2.5610		2.5610	2.9814	1.1002	2.9814	3.4782	2.7500	1.0921	1.0921	2.7500	3.4782
C4	1.4938	2.5610	2.5610		2.9814	2.9814	1.1002	2.7500	3.4782	3.4782	2.7500	1.0921	1.0921
H5	2.1549	1.1002	2.9814	2.9814		2.9983	2.9983	1.7600	1.7600	3.2489	3.9831	3.9831	3.2489
H6	2.1549	2.9814	1.1002	2.9814	2.9983		2.9983	3.9831	3.2489	1.7600	1.7600	3.2489	3.9831
H7	2.1549	2.9814	2.9814	1.1002	2.9983	2.9983		3.2489	3.9831	3.9831	3.2489	1.7600	1.7600
H8	2.1507	1.0921	3.4782	2.7500	1.7600	3.9831	3.2489		1.7709	3.7051	4.2582	3.7051	2.4873
H9	2.1507	1.0921	2.7500	3.4782	1.7600	3.2489	3.9831	1.7709		2.4873	3.7051	4.2582	3.7051
H10	2.1507	2.7500	1.0921	3.4782	3.2489	1.7600	3.9831	3.7051	2.4873		1.7709	3.7051	4.2582
H11	2.1507	3.4782	1.0921	2.7500	3.9831	1.7600	3.2489	4.2582	3.7051	1.7709		2.4873	3.7051
H12	2.1507	3.4782	2.7500	1.0921	3.9831	3.2489	1.7600	3.7051	4.2582	3.7051	2.4873		1.7709
H13	2.1507	2.7500	3.4782	1.0921	3.2489	3.9831	1.7600	2.4873	3.7051	4.2582	3.7051	1.7709

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	111.445	C1	C2	H8	111.603
C1	C2	H9	111.603	C1	C3	H6	111.445
C1	C3	H10	111.603	C1	C3	H11	111.603
C1	C4	H7	111.445	C1	C4	H12	111.603
C1	C4	H13	111.603	C2	C1	C3	118.011
C2	C1	C4	118.011	C3	C1	C4	118.011
H5	C2	H8	106.795	H5	C2	H9	106.795
H6	C3	H10	106.795	H6	C3	H11	106.795
H7	C4	H12	106.795	H7	C4	H13	106.795
H8	C2	H9	108.345	H10	C3	H11	108.345
H12	C4	H13	108.345

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

using model chemistry: MP2/6-31G(2df,p)

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: MP2/6-31G(2df,p)

States and conformations

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