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	hartrees
Energy at 0K	-498.516935
Energy at 298.15K	-498.518080
HF Energy	-498.516935
Nuclear repulsion energy	45.328979

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3297	3297	12.16
2	A'	1522	1522	17.00
3	A'	858	858	41.58
4	A'	429	429	47.72
5	A"	3445	3445	0.32
6	A"	1070	1070	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	-0.014	1.124	0.000
Cl2	-0.014	-0.586	0.000
H3	0.155	1.606	0.938
H4	0.155	1.606	-0.938

	C1	Cl2	H3	H4
C1		1.7094	1.0685	1.0685
Cl2	1.7094		2.3900	2.3900
H3	1.0685	2.3900		1.8769
H4	1.0685	2.3900	1.8769

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Br2	C1	H3	116.825		Br2	C1	H4	116.825
H3	C1	H4	122.876

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

using model chemistry: ROHF/cc-pV(T+d)Z

States and conformations

	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	-0.166
2	Cl	-0.126
3	H	0.146
4	H	0.146

	x	y	z	Total
	0.272	1.463	0.000	1.488
CHELPG
AIM
ESP

<r²>	32.079
(<r²>)^1/2	5.664

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

using model chemistry: ROHF/cc-pV(T+d)Z

States and conformations

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