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	hartrees
Energy at 0K	-499.005336
Energy at 298.15K
HF Energy	-498.522230
Nuclear repulsion energy	45.630952

	hartrees
Energy at 0K	-499.005347
Energy at 298.15K
HF Energy	-498.522201
Nuclear repulsion energy	45.637188

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3221	3221	5.94
2	A₁	1448	1448	10.43
3	A₁	868	868	30.10
4	B₁	177	177	66.06
5	B₂	3369	3369	0.28
6	B₂	1012	1012	0.02

Atom	y (Å)	z (Å)
C1	0.000	-1.111
Cl2	0.000	0.582
H3	0.947	-1.612
H4	-0.947	-1.612

	C1	Cl2	H3	H4
C1		1.6921	1.0712	1.0712
Cl2	1.6921		2.3890	2.3890
H3	1.0712	2.3890		1.8933
H4	1.0712	2.3890	1.8933

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

using model chemistry: CCSD=FULL/cc-pVQZ

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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Calc. vs exp. Bad Vib. HF vs MP2 Bad scale factors Low excited states Oddities NaCN Is not linear FAQ Help Units Choose Units Energy Bond length Rotational Constant Moment of Inertia Dipole and Quadrupole Polarizability Explanations Hartree cm-1 Debye Credits Just show me Show me a calculated geometry Summary Using older interface Limit Basis sets Method options List Recent molecules Choose a few Molecules Number of atoms By heavy atoms Diatomics InChI Deuterated Dimers Geometry Point group Point group count Bonds types Isodesmic reactions Bad point group Multiple conformers, states Vibrations Big anharmonicity Energy Enthalpy at 0 Kelvin Similar molecules Similar Isomers Cis/trans Tautomers Multiple conformers, states Ions, Dipoles, etc. List Ions Ionization changes point group Dipole Quadrupole Polarizability Proton Affinities Index of CCCBDB Feedback Error form Wants
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atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Br2	C1	H3	117.902		Br2	C1	H4	117.902
H3	C1	H4	124.196

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

using model chemistry: CCSD=FULL/cc-pVQZ

States and conformations

Conformer 1 (CS)

Conformer 2 (C2V)

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