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	hartrees
Energy at 0K	-238.248094
Energy at 298.15K
HF Energy	-238.248094
Nuclear repulsion energy	67.935762

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'	3221	3221	20.57	76.96	0.24	0.39
2	A'	1086	1086	97.55	7.26	0.18	0.30
3	A'	950	950	4.92	3.73	0.19	0.32
4	A'	495	495	7.93	2.39	0.72	0.83
5	A"	1303	1303	41.57	4.08	0.75	0.86
6	A"	1135	1135	238.81	5.56	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.030	0.528	0.000
H2	-0.710	1.328	0.000
F3	0.030	-0.250	1.134
F4	0.030	-0.250	-1.134

	C1	H2	F3	F4
C1		1.0896	1.3755	1.3755
H2	1.0896		2.0794	2.0794
F3	1.3755	2.0794		2.2688
F4	1.3755	2.0794	2.2688

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
H2	C1	F3	114.538		H2	C1	F4	114.538
F3	C1	F4	111.118

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

using model chemistry: wB97X-D/SDD

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	0.225
2	H	0.212
3	F	-0.219
4	F	-0.219

	x	y	z	Total
	-0.926	1.797	0.000	2.022
CHELPG
AIM
ESP

	x	y	z
x	1.118	-0.162	0.000
y	-0.162	1.659	0.000
z	0.000	0.000	2.088

<r²>	38.335
(<r²>)^1/2	6.191

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

using model chemistry: wB97X-D/SDD

States and conformations

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