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	hartrees
Energy at 0K	-237.175603
Energy at 298.15K	-237.176831
HF Energy	-237.175603
Nuclear repulsion energy	70.398469

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3025	2969	37.94
2	A'	1211	1188	72.08
3	A'	959	941	15.38
4	A'	536	526	2.91
5	A"	1354	1328	143.62
6	A"	1211	1188	102.18

Atom	x (Å)	y (Å)	z (Å)
C1	0.030	0.502	0.000
H2	-0.731	1.303	0.000
F3	0.030	-0.240	1.093
F4	0.030	-0.240	-1.093

	C1	H2	F3	F4
C1		1.1048	1.3215	1.3215
H2	1.1048		2.0384	2.0384
F3	1.3215	2.0384		2.1865
F4	1.3215	2.0384	2.1865

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
H2	C1	F3	114.011		H2	C1	F4	114.011
F3	C1	F4	111.646

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

using model chemistry: LSDA/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	0.194
2	H	0.154
3	F	-0.174
4	F	-0.174

	x	y	z	Total
	-0.698	0.825	0.000	1.081
CHELPG
AIM
ESP

	x	y	z
x	1.472	-0.308	0.000
y	-0.308	1.871	0.000
z	0.000	0.000	2.101

<r²>	35.935
(<r²>)^1/2	5.995

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

using model chemistry: LSDA/6-31G*

States and conformations

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