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	hartrees
Energy at 0K	-498.885862
Energy at 298.15K
HF Energy	-498.507902
Nuclear repulsion energy	45.682517

	hartrees
Energy at 0K	-498.886018
Energy at 298.15K
HF Energy	-498.508069
Nuclear repulsion energy	45.525967

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	3196	3017
2	A₁	1439	1358
3	A₁	865	816
4	B₁	72	68
5	B₂	3346	3158
6	B₂	1010	954

Atom	y (Å)	z (Å)
C1	0.000	-1.112
Cl2	0.000	0.583
H3	0.951	-1.617
H4	-0.951	-1.617

	C1	Cl2	H3	H4
C1		1.6952	1.0765	1.0765
Cl2	1.6952		2.3967	2.3967
H3	1.0765	2.3967		1.9015
H4	1.0765	2.3967	1.9015

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

using model chemistry: MP4/6-311+G(3df,2p)

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	117.973		Br2	C1	H4	117.973
H3	C1	H4	124.053

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

using model chemistry: MP4/6-311+G(3df,2p)

States and conformations

Conformer 1 (CS)

Conformer 2 (C2V)

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