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	hartrees
Energy at 0K	-499.028375
Energy at 298.15K
HF Energy	-498.522468
Nuclear repulsion energy	45.586350

Atom	x (Å)	y (Å)	z (Å)
C1	-0.000	1.112	0.000
Cl2	-0.000	-0.582	0.000
H3	0.004	1.613	0.949
H4	0.004	1.613	-0.949

	C1	Cl2	H3	H4
C1		1.6936	1.0737	1.0737
Cl2	1.6936		2.3915	2.3915
H3	1.0737	2.3915		1.8988
H4	1.0737	2.3915	1.8988

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Br2	C1	H3	117.836		Br2	C1	H4	117.836
H3	C1	H4	124.326

All results from a given calculation for CH₂Cl (chloromethyl radical)

using model chemistry: CCSD(T)=FULL/aug-cc-pVQZ

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 CH2Cl (chloromethyl radical)

using model chemistry: CCSD(T)=FULL/aug-cc-pVQZ

States and conformations

All results from a given calculation for CH₂Cl (chloromethyl radical)