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	hartrees
Energy at 0K	-237.382368
Energy at 298.15K	-237.383695
HF Energy	-237.382368
Nuclear repulsion energy	71.464361

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'	3301	3301	26.12	79.01	0.18	0.30
2	A'	1281	1281	122.87	4.32	0.23	0.37
3	A'	1139	1139	12.29	0.68	0.73	0.85
4	A'	603	603	6.72	0.70	0.65	0.79
5	A"	1472	1472	78.24	1.18	0.75	0.86
6	A"	1309	1309	256.33	3.21	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.030	0.501	0.000
H2	-0.713	1.280	0.000
F3	0.030	-0.238	1.075
F4	0.030	-0.238	-1.075

	C1	H2	F3	F4
C1		1.0755	1.3045	1.3045
H2	1.0755		2.0024	2.0024
F3	1.3045	2.0024		2.1491
F4	1.3045	2.0024	2.1491

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
H2	C1	F3	114.216		H2	C1	F4	114.216
F3	C1	F4	110.923

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

using model chemistry: ROHF/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	0.605
2	H	0.374
3	F	-0.489
4	F	-0.489

	x	y	z	Total
	-0.652	1.428	0.000	1.569
CHELPG
AIM
ESP

<r²>	35.376
(<r²>)^1/2	5.948

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

using model chemistry: ROHF/aug-cc-pVQZ

States and conformations

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