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	hartrees
Energy at 0K	-237.329145
Energy at 298.15K	-237.330469
HF Energy	-237.329145
Nuclear repulsion energy	71.234969

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)	Raman Act (Å⁴/u)	Dep P	Dep U
1	A'	3349	2865	38.82	75.65	0.25	0.40
2	A'	1281	1096	133.01	3.02	0.16	0.28
3	A'	1162	994	22.20	2.74	0.63	0.77
4	A'	597	511	8.06	1.19	0.73	0.84
5	A"	1496	1280	96.86	3.36	0.75	0.86
6	A"	1311	1121	259.52	4.50	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.030	0.502	0.000
H2	-0.727	1.266	0.000
F3	0.030	-0.238	1.080
F4	0.030	-0.238	-1.080

	C1	H2	F3	F4
C1		1.0756	1.3088	1.3088
H2	1.0756		1.9999	1.9999
F3	1.3088	1.9999		2.1591
F4	1.3088	1.9999	2.1591

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
H2	C1	F3	113.655		H2	C1	F4	113.655
F3	C1	F4	111.151

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

using model chemistry: ROHF/6-311G*

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	0.318
2	H	0.201
3	F	-0.259
4	F	-0.259

	x	y	z	Total
	-0.638	1.531	0.000	1.659
CHELPG
AIM
ESP

<r²>	35.496
(<r²>)^1/2	5.958

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

using model chemistry: ROHF/6-311G*

States and conformations

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