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	hartrees
Energy at 0K	-238.435634
Energy at 298.15K	-238.436875
HF Energy	-238.435634
Nuclear repulsion energy	70.167074

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3114	3017	18.25
2	A'	1166	1129	94.62
3	A'	982	952	5.83
4	A'	548	531	4.02
5	A"	1327	1286	45.26
6	A"	1172	1135	261.25

Atom	x (Å)	y (Å)	z (Å)
C1	0.030	0.508	0.000
H2	-0.714	1.301	0.000
F3	0.030	-0.242	1.097
F4	0.030	-0.242	-1.097

	C1	H2	F3	F4
C1		1.0871	1.3285	1.3285
H2	1.0871		2.0337	2.0337
F3	1.3285	2.0337		2.1932
F4	1.3285	2.0337	2.1932

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
H2	C1	F3	114.308		H2	C1	F4	114.308
F3	C1	F4	111.270

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

using model chemistry: B3LYP/aug-cc-pVQZ

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	0.506
2	H	0.341
3	F	-0.424
4	F	-0.424

	x	y	z	Total
	-0.722	1.174	0.000	1.378
CHELPG
AIM
ESP

	x	y	z
x	2.315	-0.106	0.000
y	-0.106	2.593	0.000
z	0.000	0.000	2.813

<r²>	36.547
(<r²>)^1/2	6.045

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

using model chemistry: B3LYP/aug-cc-pVQZ

States and conformations

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