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	hartrees
Energy at 0K	-236.778370
Energy at 298.15K	-236.779587
HF Energy	-236.778370
Nuclear repulsion energy	68.672569

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3161	3034	35.24
2	A'	1165	1118	67.94
3	A'	946	908	11.55
4	A'	518	497	6.35
5	A"	1404	1348	76.29
6	A"	1241	1191	109.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.028	0.509	0.000
H2	-0.677	1.337	0.000
F3	0.028	-0.244	1.128
F4	0.028	-0.244	-1.128

	C1	H2	F3	F4
C1		1.0880	1.3561	1.3561
H2	1.0880		2.0665	2.0665
F3	1.3561	2.0665		2.2558
F4	1.3561	2.0665	2.2558

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
H2	C1	F3	115.009		H2	C1	F4	115.009
F3	C1	F4	112.552

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

using model chemistry: PBE1PBE/3-21G*

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	0.339
2	H	0.213
3	F	-0.276
4	F	-0.276

	x	y	z	Total
	-0.760	1.283	0.000	1.491
CHELPG
AIM
ESP

	x	y	z
x	0.950	-0.281	0.000
y	-0.281	1.465	0.000
z	0.000	0.000	1.795

<r²>	37.506
(<r²>)^1/2	6.124

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

using model chemistry: PBE1PBE/3-21G*

States and conformations

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