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	hartrees
Energy at 0K	-498.810794
Energy at 298.15K
HF Energy	-498.490732
Nuclear repulsion energy	44.830455

	hartrees
Energy at 0K	-498.810795
Energy at 298.15K
HF Energy	-498.490731
Nuclear repulsion energy	44.845569

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	3173	3173
2	A₁	1417	1417
3	A₁	835	835
4	B₁	63i	63i
5	B₂	3330	3330
6	B₂	987	987

Atom	y (Å)	z (Å)
C1	0.000	-1.131
Cl2	0.000	0.592
H3	0.966	-1.635
H4	-0.966	-1.635

	C1	Cl2	H3	H4
C1		1.7229	1.0892	1.0892
Cl2	1.7229		2.4269	2.4269
H3	1.0892	2.4269		1.9317
H4	1.0892	2.4269	1.9317

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

using model chemistry: CCSD(T)=FULL/daug-cc-pVDZ

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	117.533		Br2	C1	H4	117.533
H3	C1	H4	124.933

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

using model chemistry: CCSD(T)=FULL/daug-cc-pVDZ

States and conformations

Conformer 1 (CS)

Conformer 2 (C2V)

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