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	hartrees
Energy at 0K	-237.331529
Energy at 298.15K	-237.332853
HF Energy	-237.331529
Nuclear repulsion energy	71.213881

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'	3328	3037	31.66	76.01	0.23	0.38
2	A'	1279	1167	133.93	3.11	0.17	0.29
3	A'	1143	1043	19.52	2.40	0.60	0.75
4	A'	597	545	8.25	1.18	0.73	0.84
5	A"	1482	1352	99.91	2.83	0.75	0.86
6	A"	1309	1195	251.43	4.58	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.030	0.503	0.000
H2	-0.720	1.275	0.000
F3	0.030	-0.238	1.079
F4	0.030	-0.238	-1.079

	C1	H2	F3	F4
C1		1.0763	1.3092	1.3092
H2	1.0763		2.0043	2.0043
F3	1.3092	2.0043		2.1583
F4	1.3092	2.0043	2.1583

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
H2	C1	F3	113.965		H2	C1	F4	113.965
F3	C1	F4	111.028

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

using model chemistry: ROHF/6-311G**

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	0.425
2	H	0.091
3	F	-0.258
4	F	-0.258

	x	y	z	Total
	-0.632	1.543	0.000	1.668
CHELPG
AIM
ESP

<r²>	35.492
(<r²>)^1/2	5.958

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

using model chemistry: ROHF/6-311G**

States and conformations

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