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	hartrees
Energy at 0K	-238.291739
Energy at 298.15K	-238.292979
HF Energy	-238.291739
Nuclear repulsion energy	70.025577

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3162	3030	18.44
2	A'	1174	1125	95.54
3	A'	981	940	6.19
4	A'	541	518	4.23
5	A"	1319	1264	65.41
6	A"	1190	1140	239.33

Atom	x (Å)	y (Å)	z (Å)
C1	0.030	0.511	0.000
H2	-0.723	1.305	0.000
F3	0.030	-0.243	1.097
F4	0.030	-0.243	-1.097

	C1	H2	F3	F4
C1		1.0948	1.3312	1.3312
H2	1.0948		2.0417	2.0417
F3	1.3312	2.0417		2.1949
F4	1.3312	2.0417	2.1949

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
H2	C1	F3	114.262		H2	C1	F4	114.262
F3	C1	F4	111.054

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

using model chemistry: mPW1PW91/aug-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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Number	Element	Mulliken
1	C	0.837
2	H	-0.177
3	F	-0.330
4	F	-0.330

	x	y	z	Total
	-0.721	1.212	0.000	1.410
CHELPG
AIM
ESP

	x	y	z
x	2.150	-0.119	0.000
y	-0.119	2.461	0.000
z	0.000	0.000	2.693

<r²>	36.575
(<r²>)^1/2	6.048

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

using model chemistry: mPW1PW91/aug-cc-pVDZ

States and conformations

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