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	hartrees
Energy at 0K	-236.801002
Energy at 298.15K	-236.802221
HF Energy	-236.801002
Nuclear repulsion energy	68.635720

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3164	3047	35.29
2	A'	1160	1118	67.83
3	A'	943	909	11.39
4	A'	517	498	6.27
5	A"	1402	1351	73.55
6	A"	1237	1192	112.19

Atom	x (Å)	y (Å)	z (Å)
C1	0.028	0.509	0.000
H2	-0.675	1.339	0.000
F3	0.028	-0.244	1.129
F4	0.028	-0.244	-1.129

	C1	H2	F3	F4
C1		1.0876	1.3569	1.3569
H2	1.0876		2.0674	2.0674
F3	1.3569	2.0674		2.2571
F4	1.3569	2.0674	2.2571

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
H2	C1	F3	115.052		H2	C1	F4	115.052
F3	C1	F4	112.550

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

using model chemistry: HSEh1PBE/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	0.337
2	H	0.212
3	F	-0.275
4	F	-0.275

	x	y	z	Total
	-0.758	1.284	0.000	1.492
CHELPG
AIM
ESP

	x	y	z
x	0.948	-0.281	0.000
y	-0.281	1.466	0.000
z	0.000	0.000	1.796

<r²>	37.533
(<r²>)^1/2	6.126

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

using model chemistry: HSEh1PBE/3-21G

States and conformations

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