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	hartrees
Energy at 0K	-499.502182
Energy at 298.15K
HF Energy	-499.502182
Nuclear repulsion energy	45.441894

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3159	3159	7.85
2	A₁	1416	1416	10.73
3	A₁	838	838	34.04
4	B₁	101	101	68.99
5	B₂	3310	3310	0.10
6	B₂	992	992	0.06

Atom	y (Å)	z (Å)
C1	0.000	-1.115
Cl2	0.000	0.584
H3	0.954	-1.617
H4	-0.954	-1.617

	C1	Cl2	H3	H4
C1		1.6988	1.0780	1.0780
Cl2	1.6988		2.3988	2.3988
H3	1.0780	2.3988		1.9076
H4	1.0780	2.3988	1.9076

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Br2	C1	H3	117.773		Br2	C1	H4	117.773
H3	C1	H4	124.455

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

using model chemistry: TPSSh/cc-pCVTZ

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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Number	Element	Mulliken
1	C	-0.177
2	Cl	-0.070
3	H	0.123
4	H	0.123

	x	y	z	Total
	0.000	0.000	-1.106	1.106
CHELPG
AIM
ESP

<r²>	31.926
(<r²>)^1/2	5.650

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

using model chemistry: TPSSh/cc-pCVTZ

States and conformations

Conformer 1 (CS)

Conformer 2 (C2V)

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