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	hartrees
Energy at 0K	-238.096712
Energy at 298.15K	-238.097965
HF Energy	-238.096712
Nuclear repulsion energy	70.216400

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3141	2997	37.69
2	A'	1213	1158	86.23
3	A'	1018	971	12.54
4	A'	544	519	4.18
5	A"	1384	1321	113.96
6	A"	1233	1176	158.62

Atom	x (Å)	y (Å)	z (Å)
C1	0.030	0.505	0.000
H2	-0.722	1.297	0.000
F3	0.030	-0.240	1.097
F4	0.030	-0.240	-1.097

	C1	H2	F3	F4
C1		1.0925	1.3263	1.3263
H2	1.0925		2.0332	2.0332
F3	1.3263	2.0332		2.1941
F4	1.3263	2.0332	2.1941

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
H2	C1	F3	114.055		H2	C1	F4	114.055
F3	C1	F4	111.611

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

using model chemistry: HSEh1PBE/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	0.361
2	H	0.118
3	F	-0.239
4	F	-0.239

	x	y	z	Total
	-0.637	1.061	0.000	1.237
CHELPG
AIM
ESP

	x	y	z
x	1.429	-0.286	0.000
y	-0.286	1.801	0.000
z	0.000	0.000	2.015

<r²>	36.059
(<r²>)^1/2	6.005

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

using model chemistry: HSEh1PBE/6-31G**

States and conformations

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