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	hartrees
Energy at 0K	-235.979242
Energy at 298.15K	-235.980523
HF Energy	-235.979242
Nuclear repulsion energy	69.310459

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'	3381	3066	29.10	67.29	0.23	0.38
2	A'	1229	1115	99.74	5.38	0.13	0.23
3	A'	1076	976	14.66	5.58	0.61	0.75
4	A'	549	498	12.96	1.50	0.74	0.85
5	A"	1509	1369	89.67	4.34	0.75	0.86
6	A"	1324	1201	135.84	6.95	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.028	0.510	0.000
H2	-0.678	1.313	0.000
F3	0.028	-0.243	1.115
F4	0.028	-0.243	-1.115

	C1	H2	F3	F4
C1		1.0693	1.3460	1.3460
H2	1.0693		2.0407	2.0407
F3	1.3460	2.0407		2.2307
F4	1.3460	2.0407	2.2307

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
H2	C1	F3	114.845		H2	C1	F4	114.845
F3	C1	F4	111.914

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

using model chemistry: ROHF/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	0.561
2	H	0.213
3	F	-0.387
4	F	-0.387

	x	y	z	Total
	-0.643	1.883	0.000	1.990
CHELPG
AIM
ESP

<r²>	37.076
(<r²>)^1/2	6.089

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

using model chemistry: ROHF/3-21G

States and conformations

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