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	hartrees
Energy at 0K	-237.366354
Energy at 298.15K
HF Energy	-237.366354
Nuclear repulsion energy	71.400184

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'	3302	2987	25.86	78.80	0.18	0.30
2	A'	1283	1161	122.71	4.37	0.23	0.37
3	A'	1138	1029	12.28	0.70	0.73	0.84
4	A'	602	545	6.78	0.70	0.65	0.79
5	A"	1469	1329	82.25	1.17	0.75	0.86
6	A"	1311	1186	252.81	3.25	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.030	0.502	0.000
H2	-0.714	1.279	0.000
F3	0.030	-0.238	1.076
F4	0.030	-0.238	-1.076

	C1	H2	F3	F4
C1		1.0759	1.3058	1.3058
H2	1.0759		2.0033	2.0033
F3	1.3058	2.0033		2.1510
F4	1.3058	2.0033	2.1510

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
H2	C1	F3	114.179		H2	C1	F4	114.179
F3	C1	F4	110.903

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

using model chemistry: HF/daug-cc-pVTZ

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	0.397
2	H	0.881
3	F	-0.639
4	F	-0.639

	x	y	z	Total
	-0.654	1.432	0.000	1.574
CHELPG
AIM
ESP

	x	y	z
x	1.981	-0.115	0.000
y	-0.115	2.194	0.000
z	0.000	0.000	2.327

<r²>	35.430
(<r²>)^1/2	5.952

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

using model chemistry: HF/daug-cc-pVTZ

States and conformations

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