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	hartrees
Energy at 0K	-238.411445
Energy at 298.15K	-238.412691
HF Energy	-238.411445
Nuclear repulsion energy	70.123416

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3107	3003	25.69
2	A'	1173	1134	90.28
3	A'	992	959	8.53
4	A'	547	529	3.94
5	A"	1334	1290	56.00
6	A"	1183	1143	232.36

Atom	x (Å)	y (Å)	z (Å)
C1	0.030	0.508	0.000
H2	-0.719	1.298	0.000
F3	0.030	-0.241	1.098
F4	0.030	-0.241	-1.098

	C1	H2	F3	F4
C1		1.0884	1.3292	1.3292
H2	1.0884		2.0335	2.0335
F3	1.3292	2.0335		2.1954
F4	1.3292	2.0335	2.1954

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
H2	C1	F3	114.155		H2	C1	F4	114.155
F3	C1	F4	111.353

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

using model chemistry: B3LYP/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	0.251
2	H	0.061
3	F	-0.156
4	F	-0.156

	x	y	z	Total
	-0.701	1.130	0.000	1.330
CHELPG
AIM
ESP

	x	y	z
x	1.748	-0.213	0.000
y	-0.213	2.095	0.000
z	0.000	0.000	2.354

<r²>	36.412
(<r²>)^1/2	6.034

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

using model chemistry: B3LYP/cc-pVTZ

States and conformations

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