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	hartrees
Energy at 0K	-238.270714
Energy at 298.15K
HF Energy	-238.065830
Nuclear repulsion energy	70.237868

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3149	3021	25.27
2	A'	1184	1136	89.90
3	A'	1023	981	8.50
4	A'	552	529	4.24
5	A"	1353	1298	58.94
6	A"	1200	1152	230.76

Atom	x (Å)	y (Å)	z (Å)
C1	0.030	0.508	0.000
H2	-0.720	1.292	0.000
F3	0.030	-0.241	1.096
F4	0.030	-0.241	-1.096

	C1	H2	F3	F4
C1		1.0855	1.3273	1.3273
H2	1.0855		2.0284	2.0284
F3	1.3273	2.0284		2.1917
F4	1.3273	2.0284	2.1917

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
H2	C1	F3	114.058		H2	C1	F4	114.058
F3	C1	F4	111.307

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

using model chemistry: B2PLYP/cc-pVTZ

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	0.238
2	H	0.075
3	F	-0.156
4	F	-0.156

	x	y	z	Total
	-0.696	1.157	0.000	1.350
CHELPG
AIM
ESP

	x	y	z
x	1.715	-0.206	0.000
y	-0.206	2.065	0.000
z	0.000	0.000	2.326

<r²>	36.321
(<r²>)^1/2	6.027

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

using model chemistry: B2PLYP/cc-pVTZ

States and conformations

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