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	hartrees
Energy at 0K	-237.008986
Energy at 298.15K	-237.010191
HF Energy	-237.008986
Nuclear repulsion energy	68.373351

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3129	3010	38.55
2	A'	1139	1095	65.22
3	A'	936	901	10.57
4	A'	512	492	5.71
5	A"	1388	1335	61.63
6	A"	1213	1167	119.10

Atom	x (Å)	y (Å)	z (Å)
C1	0.028	0.511	0.000
H2	-0.680	1.338	0.000
F3	0.028	-0.245	1.133
F4	0.028	-0.245	-1.133

	C1	H2	F3	F4
C1		1.0888	1.3624	1.3624
H2	1.0888		2.0718	2.0718
F3	1.3624	2.0718		2.2666
F4	1.3624	2.0718	2.2666

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
H2	C1	F3	114.938		H2	C1	F4	114.938
F3	C1	F4	112.577

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

using model chemistry: B3LYP/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	0.336
2	H	0.192
3	F	-0.264
4	F	-0.264

	x	y	z	Total
	-0.757	1.213	0.000	1.430
CHELPG
AIM
ESP

	x	y	z
x	0.954	-0.290	0.000
y	-0.290	1.488	0.000
z	0.000	0.000	1.839

<r²>	37.735
(<r²>)^1/2	6.143

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

using model chemistry: B3LYP/3-21G*

States and conformations

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