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	hartrees
Energy at 0K	-238.036947
Energy at 298.15K	-238.038137
HF Energy	-238.036947
Nuclear repulsion energy	68.226831

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3221	3081	21.57
2	A'	1120	1071	84.78
3	A'	942	901	6.42
4	A'	500	479	8.06
5	A"	1344	1286	60.19
6	A"	1183	1131	169.44

Atom	x (Å)	y (Å)	z (Å)
C1	0.029	0.519	0.000
H2	-0.698	1.326	0.000
F3	0.029	-0.247	1.133
F4	0.029	-0.247	-1.133

	C1	H2	F3	F4
C1		1.0863	1.3676	1.3676
H2	1.0863		2.0702	2.0702
F3	1.3676	2.0702		2.2664
F4	1.3676	2.0702	2.2664

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
H2	C1	F3	114.572		H2	C1	F4	114.572
F3	C1	F4	111.914

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	0.403
2	H	0.177
3	F	-0.290
4	F	-0.290

	x	y	z	Total
	-0.788	1.582	0.000	1.767
CHELPG
AIM
ESP

	x	y	z
x	1.093	-0.259	0.000
y	-0.259	1.588	0.000
z	0.000	0.000	1.991

<r²>	38.004
(<r²>)^1/2	6.165

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)