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	hartrees
Energy at 0K	-238.091458
Energy at 298.15K	-238.092713
HF Energy	-238.091458
Nuclear repulsion energy	70.212428

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3131	3011	31.33
2	A'	1201	1155	95.11
3	A'	994	956	11.07
4	A'	553	532	4.56
5	A"	1352	1300	125.76
6	A"	1216	1169	167.71

Atom	x (Å)	y (Å)	z (Å)
C1	0.030	0.507	0.000
H2	-0.730	1.302	0.000
F3	0.030	-0.241	1.095
F4	0.030	-0.241	-1.095

	C1	H2	F3	F4
C1		1.1003	1.3263	1.3263
H2	1.1003		2.0395	2.0395
F3	1.3263	2.0395		2.1909
F4	1.3263	2.0395	2.1909

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
H2	C1	F3	114.057		H2	C1	F4	114.057
F3	C1	F4	111.370

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

using model chemistry: PBE1PBE/cc-pVDZ

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	0.257
2	H	0.057
3	F	-0.157
4	F	-0.157

	x	y	z	Total
	-0.673	1.102	0.000	1.291
CHELPG
AIM
ESP

	x	y	z
x	1.391	-0.272	0.000
y	-0.272	1.732	0.000
z	0.000	0.000	1.977

<r²>	36.132
(<r²>)^1/2	6.011

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

using model chemistry: PBE1PBE/cc-pVDZ

States and conformations

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