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	hartrees
Energy at 0K	-237.277807
Energy at 298.15K	-237.279125
HF Energy	-237.277807
Nuclear repulsion energy	70.963483

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'	3335	2870	32.75	83.39	0.23	0.37
2	A'	1271	1094	131.42	3.29	0.16	0.28
3	A'	1127	970	17.25	3.14	0.62	0.77
4	A'	592	510	8.12	1.13	0.73	0.84
5	A"	1466	1262	116.99	2.69	0.75	0.86
6	A"	1305	1123	233.19	4.99	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.030	0.504	0.000
H2	-0.724	1.284	0.000
F3	0.030	-0.239	1.082
F4	0.030	-0.239	-1.082

	C1	H2	F3	F4
C1		1.0845	1.3135	1.3135
H2	1.0845		2.0152	2.0152
F3	1.3135	2.0152		2.1650
F4	1.3135	2.0152	2.1650

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
H2	C1	F3	114.021		H2	C1	F4	114.021
F3	C1	F4	111.002

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

using model chemistry: ROHF/cc-pVDZ

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	0.457
2	H	0.051
3	F	-0.254
4	F	-0.254

	x	y	z	Total
	-0.607	1.539	0.000	1.655
CHELPG
AIM
ESP

<r²>	35.633
(<r²>)^1/2	5.969

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

using model chemistry: ROHF/cc-pVDZ

States and conformations

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