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	hartrees
Energy at 0K	-498.957247
Energy at 298.15K
HF Energy	-498.516237
Nuclear repulsion energy	45.546577

	hartrees
Energy at 0K	-498.957247
Energy at 298.15K
HF Energy	-498.516238
Nuclear repulsion energy	45.542422

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	3235	3136
2	A₁	1424	1380
3	A₁	859	833
4	B₁	40	39
5	B₂	3339	3236
6	B₂	990	959

Atom	y (Å)	z (Å)
C1	0.000	-1.113
Cl2	0.000	0.583
H3	0.946	-1.616
H4	-0.946	-1.616

	C1	Cl2	H3	H4
C1		1.6963	1.0713	1.0713
Cl2	1.6963		2.3936	2.3936
H3	1.0713	2.3936		1.8924
H4	1.0713	2.3936	1.8924

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

using model chemistry: MP4=FULL/aug-cc-pVTZ

States and conformations

Conformer 1 (CS)

Conformer 2 (C2V)

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Br2	C1	H3	117.964		Br2	C1	H4	117.964
H3	C1	H4	124.072

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

using model chemistry: MP4=FULL/aug-cc-pVTZ

States and conformations

Conformer 1 (CS)

Conformer 2 (C2V)

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