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	hartrees
Energy at 0K	-238.071028
Energy at 298.15K
HF Energy	-238.071028
Nuclear repulsion energy	69.400947

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'	3019	2978	42.62	90.89	0.26	0.42
2	A'	1154	1138	73.40	6.11	0.13	0.23
3	A'	977	964	10.55	5.88	0.48	0.65
4	A'	521	514	2.88	1.70	0.75	0.86
5	A"	1320	1302	86.04	4.57	0.75	0.86
6	A"	1170	1154	162.36	6.52	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.031	0.511	0.000
H2	-0.740	1.301	0.000
F3	0.031	-0.243	1.111
F4	0.031	-0.243	-1.111

	C1	H2	F3	F4
C1		1.1033	1.3421	1.3421
H2	1.1033		2.0514	2.0514
F3	1.3421	2.0514		2.2214
F4	1.3421	2.0514	2.2214

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
H2	C1	F3	113.694		H2	C1	F4	113.694
F3	C1	F4	111.702

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

using model chemistry: PBEPBEultrafine/6-31G**

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	0.303
2	H	0.107
3	F	-0.205
4	F	-0.205

	x	y	z	Total
	-0.656	0.880	0.000	1.097
CHELPG
AIM
ESP

	x	y	z
x	1.485	-0.307	0.000
y	-0.307	1.899	0.000
z	0.000	0.000	2.166

<r²>	36.701
(<r²>)^1/2	6.058

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

using model chemistry: PBEPBEultrafine/6-31G**

States and conformations

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