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	hartrees
Energy at 0K	-234.950054
Energy at 298.15K	-234.951207
HF Energy	-234.950054
Nuclear repulsion energy	68.385509

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3320	3320	8.87
2	A'	1280	1280	25.30
3	A'	937	937	15.86
4	A'	526	526	3.48
5	A"	1547	1547	80.20
6	A"	1298	1298	19.20

Atom	x (Å)	y (Å)	z (Å)
C1	0.030	0.513	0.000
H2	-0.722	1.339	0.000
F3	0.030	-0.245	1.130
F4	0.030	-0.245	-1.130

	C1	H2	F3	F4
C1		1.1172	1.3605	1.3605
H2	1.1172		2.0860	2.0860
F3	1.3605	2.0860		2.2597
F4	1.3605	2.0860	2.2597

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
H2	C1	F3	114.332		H2	C1	F4	114.332
F3	C1	F4	112.298

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

using model chemistry: M06-2X/STO-3G

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	0.098
2	H	0.061
3	F	-0.080
4	F	-0.080

	x	y	z	Total
	-0.507	0.435	0.000	0.668
CHELPG
AIM
ESP

	x	y	z
x	0.481	-0.197	0.000
y	-0.197	0.952	0.000
z	0.000	0.000	1.341

<r²>	36.597
(<r²>)^1/2	6.050

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

using model chemistry: M06-2X/STO-3G

States and conformations

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