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	hartrees
Energy at 0K	-53.671887
Energy at 298.15K	-53.673143
HF Energy	-53.671887
Nuclear repulsion energy	38.883769

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)	Raman Act (Å⁴/u)	Dep P	Dep U
1	A'	3352	3059	18.15	71.87	0.22	0.36
2	A'	1156	1055	132.39	8.23	0.17	0.28
3	A'	1076	982	10.25	2.68	0.42	0.59
4	A'	531	485	13.22	1.98	0.70	0.82
5	A"	1408	1285	59.77	4.48	0.75	0.86
6	A"	1219	1112	261.74	7.95	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.030	0.529	0.000
H2	-0.716	1.305	0.000
F3	0.030	-0.249	1.120
F4	0.030	-0.249	-1.120

	C1	H2	F3	F4
C1		1.0768	1.3634	1.3634
H2	1.0768		2.0557	2.0557
F3	1.3634	2.0557		2.2394
F4	1.3634	2.0557	2.2394

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
H2	C1	F3	114.286		H2	C1	F4	114.286
F3	C1	F4	110.427

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

using model chemistry: HF/CEP-121G

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	0.402
2	H	0.153
3	F	-0.278
4	F	-0.278

	x	y	z	Total
	-0.747	2.234	0.000	2.355
CHELPG
AIM
ESP

	x	y	z
x	1.167	-0.200	0.000
y	-0.200	1.591	0.000
z	0.000	0.000	1.878

<r²>	32.022
(<r²>)^1/2	5.659

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

using model chemistry: HF/CEP-121G

States and conformations

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