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	hartrees
Energy at 0K	-238.009484
Energy at 298.15K
HF Energy	-237.901492
Nuclear repulsion energy	67.715471

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3223	3223	21.70
2	A'	1094	1094	82.86
3	A'	973	973	4.54
4	A'	492	492	8.46
5	A"	1344	1344	47.57
6	A"	1155	1155	177.22

Atom	x (Å)	y (Å)	z (Å)
C1	0.029	0.525	0.000
H2	-0.708	1.321	0.000
F3	0.029	-0.248	1.142
F4	0.029	-0.248	-1.142

	C1	H2	F3	F4
C1		1.0855	1.3791	1.3791
H2	1.0855		2.0765	2.0765
F3	1.3791	2.0765		2.2844
F4	1.3791	2.0765	2.2844

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
H2	C1	F3	114.288		H2	C1	F4	114.288
F3	C1	F4	111.833

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

using model chemistry: B2PLYP/6-31G

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	0.442
2	H	0.161
3	F	-0.302
4	F	-0.302

	x	y	z	Total
	-0.774	1.652	0.000	1.824
CHELPG
AIM
ESP

	x	y	z
x	1.077	-0.268	0.000
y	-0.268	1.591	0.000
z	0.000	0.000	2.034

<r²>	38.499
(<r²>)^1/2	6.205

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

using model chemistry: B2PLYP/6-31G

States and conformations

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