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	hartrees
Energy at 0K	-30.930197
Energy at 298.15K	-30.931307
HF Energy	-30.930197
Nuclear repulsion energy

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3187	3187	20.53
2	A'	1460	1460	2.44
3	A'	1111	1111	99.74
4	A'	411	411	118.76
5	A"	3370	3370	30.09
6	A"	1142	1142	7.14

Atom	x (Å)	y (Å)	z (Å)
C1	0.020	0.684	0.000
F2	0.020	-0.709	0.000
H3	-0.152	1.136	0.976
H4	-0.152	1.136	-0.976

	C1	F2	H3	H4
C1		1.3931	1.0897	1.0897
F2	1.3931		2.0947	2.0947
H3	1.0897	2.0947		1.9526
H4	1.0897	2.0947	1.9526

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
F2	C1	H3	114.511		F2	C1	H4	114.511
H3	C1	H4	127.263

All results from a given calculation for CH₂F (fluoromethyl radical)

using model chemistry: wB97X-D/CEP-31G

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	-0.179
2	F	-0.206
3	H	0.193
4	H	0.193

	x	y	z	Total
	-0.462	2.009	0.000	2.061
CHELPG
AIM
ESP

	x	y	z
x	1.075	-0.042	0.000
y	-0.042	1.904	0.000
z	0.000	0.000	1.421

<r²>	16.975
(<r²>)^1/2	4.120

All results from a given calculation for CH2F (fluoromethyl radical)

using model chemistry: wB97X-D/CEP-31G

States and conformations

All results from a given calculation for CH₂F (fluoromethyl radical)