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	hartrees
Energy at 0K	-236.926407
Energy at 298.15K	-236.927619
HF Energy	-236.926407
Nuclear repulsion energy	68.486408

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3142	3021	37.44
2	A'	1149	1105	66.64
3	A'	939	903	11.18
4	A'	514	494	5.94
5	A"	1393	1338	66.95
6	A"	1225	1177	116.64

Atom	x (Å)	y (Å)	z (Å)
C1	0.028	0.510	0.000
H2	-0.679	1.338	0.000
F3	0.028	-0.244	1.131
F4	0.028	-0.244	-1.131

	C1	H2	F3	F4
C1		1.0888	1.3599	1.3599
H2	1.0888		2.0696	2.0696
F3	1.3599	2.0696		2.2630
F4	1.3599	2.0696	2.2630

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
H2	C1	F3	114.938		H2	C1	F4	114.938
F3	C1	F4	112.617

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

using model chemistry: B3PW91/3-21G

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	0.329
2	H	0.211
3	F	-0.270
4	F	-0.270

	x	y	z	Total
	-0.768	1.260	0.000	1.476
CHELPG
AIM
ESP

	x	y	z
x	0.957	-0.284	0.000
y	-0.284	1.480	0.000
z	0.000	0.000	1.821

<r²>	37.647
(<r²>)^1/2	6.136

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

using model chemistry: B3PW91/3-21G

States and conformations

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