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	hartrees
Energy at 0K	-236.912029
Energy at 298.15K	-236.913258
HF Energy	-236.912029
Nuclear repulsion energy	68.689535

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3166	2999	25.60
2	A'	1179	1117	76.53
3	A'	963	912	8.25
4	A'	525	497	7.92
5	A"	1414	1339	83.37
6	A"	1250	1184	103.58

Atom	x (Å)	y (Å)	z (Å)
C1	0.029	0.513	0.000
H2	-0.686	1.330	0.000
F3	0.029	-0.245	1.126
F4	0.029	-0.245	-1.126

	C1	H2	F3	F4
C1		1.0851	1.3571	1.3571
H2	1.0851		2.0632	2.0632
F3	1.3571	2.0632		2.2520
F4	1.3571	2.0632	2.2520

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
H2	C1	F3	114.848		H2	C1	F4	114.848
F3	C1	F4	112.135

All results from a given calculation for CHF₂ (difluoromethyl radical)

using model chemistry: M06-2X/3-21G*

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	0.386
2	H	0.205
3	F	-0.296
4	F	-0.296

	x	y	z	Total
	-0.732	1.450	0.000	1.624
CHELPG
AIM
ESP

	x	y	z
x	0.941	-0.271	0.000
y	-0.271	1.419	0.000
z	0.000	0.000	1.725

<r²>	37.515
(<r²>)^1/2	6.125

All results from a given calculation for CHF2 (difluoromethyl radical)

using model chemistry: M06-2X/3-21G*

States and conformations

All results from a given calculation for CHF₂ (difluoromethyl radical)