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	hartrees
Energy at 0K	-54.505885
Energy at 298.15K	-54.507037
HF Energy	-54.505885
Nuclear repulsion energy	38.102840

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3172	3071	29.20
2	A'	1060	1026	93.23
3	A'	936	906	5.22
4	A'	484	468	8.17
5	A"	1280	1240	33.95
6	A"	1101	1066	227.11

Atom	x (Å)	y (Å)	z (Å)
C1	0.031	0.535	0.000
H2	-0.733	1.327	0.000
F3	0.031	-0.252	1.145
F4	0.031	-0.252	-1.145

	C1	H2	F3	F4
C1		1.0997	1.3898	1.3898
H2	1.0997		2.0946	2.0946
F3	1.3898	2.0946		2.2908
F4	1.3898	2.0946	2.2908

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
H2	C1	F3	114.058		H2	C1	F4	114.058
F3	C1	F4	111.003

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

using model chemistry: B3LYP/CEP-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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Number	Element	Mulliken
1	C	0.115
2	H	0.208
3	F	-0.162
4	F	-0.162

	x	y	z	Total
	-0.997	1.830	0.000	2.084
CHELPG
AIM
ESP

	x	y	z
x	1.159	-0.132	0.000
y	-0.132	1.716	0.000
z	0.000	0.000	2.174

<r²>	32.893
(<r²>)^1/2	5.735

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

using model chemistry: B3LYP/CEP-31G

States and conformations

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