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	hartrees
Energy at 0K	-237.286484
Energy at 298.15K	-237.287719
HF Energy	-237.286484
Nuclear repulsion energy	70.665207

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3017	2985	20.28
2	A'	1196	1183	80.02
3	A'	927	917	12.24
4	A'	548	542	3.24
5	A"	1297	1283	132.59
6	A"	1194	1181	138.95

Atom	x (Å)	y (Å)	z (Å)
C1	0.030	0.503	0.000
H2	-0.721	1.308	0.000
F3	0.030	-0.240	1.088
F4	0.030	-0.240	-1.088

	C1	H2	F3	F4
C1		1.1008	1.3170	1.3170
H2	1.1008		2.0352	2.0352
F3	1.3170	2.0352		2.1751
F4	1.3170	2.0352	2.1751

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
H2	C1	F3	114.360		H2	C1	F4	114.360
F3	C1	F4	111.337

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

using model chemistry: LSDA/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	0.140
2	H	0.061
3	F	-0.100
4	F	-0.100

	x	y	z	Total
	-0.748	0.934	0.000	1.197
CHELPG
AIM
ESP

	x	y	z
x	1.842	-0.231	0.000
y	-0.231	2.188	0.000
z	0.000	0.000	2.437

<r²>	36.023
(<r²>)^1/2	6.002

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

using model chemistry: LSDA/cc-pVTZ

States and conformations

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