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State	Conformation	minimum conformation	conformer description	state description
1	1	yes	CS	²A^'
1	2	no	C2V	²B₁

	hartrees
Energy at 0K	-498.777295
Energy at 298.15K
HF Energy	-498.486124
Nuclear repulsion energy	44.866553

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3177	3109
2	A'	1415	1385
3	A'	847	829
4	A'	340	332
5	A"	3326	3256
6	A"	994	973

Atom	x (Å)	y (Å)	z (Å)
C1	0.012	1.130	0.000
Cl2	0.012	-0.591	0.000
H3	-0.139	1.630	0.961
H4	-0.139	1.630	-0.961

	C1	Cl2	H3	H4
C1		1.7210	1.0936	1.0936
Cl2	1.7210		2.4243	2.4243
H3	1.0936	2.4243		1.9219
H4	1.0936	2.4243	1.9219

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

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

States and conformations

Conformer 1 (CS)

	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)/cc-pVDZ

States and conformations

Conformer 1 (CS)

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