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	hartrees
Energy at 0K	-238.363729
Energy at 298.15K
HF Energy	-238.363729
Nuclear repulsion energy	70.533718

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'	3131	3131	19.45	89.79	0.20	0.33
2	A'	1192	1192	97.64	5.18	0.24	0.39
3	A'	994	994	7.16	0.75	0.74	0.85
4	A'	559	559	4.19	0.91	0.65	0.79
5	A"	1344	1344	65.12	1.64	0.75	0.86
6	A"	1204	1204	245.24	3.19	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.030	0.505	0.000
H2	-0.714	1.299	0.000
F3	0.030	-0.240	1.091
F4	0.030	-0.240	-1.091

	C1	H2	F3	F4
C1		1.0880	1.3209	1.3209
H2	1.0880		2.0278	2.0278
F3	1.3209	2.0278		2.1811
F4	1.3209	2.0278	2.1811

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
H2	C1	F3	114.309		H2	C1	F4	114.309
F3	C1	F4	111.294

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

using model chemistry: wB97X-D/aug-cc-pVQZ

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	0.572
2	H	0.248
3	F	-0.410
4	F	-0.410

	x	y	z	Total
	-0.723	1.136	0.000	1.347
CHELPG
AIM
ESP

	x	y	z
x	2.284	-0.101	0.000
y	-0.101	2.535	0.000
z	0.000	0.000	2.726

<r²>	36.134
(<r²>)^1/2	6.011

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

using model chemistry: wB97X-D/aug-cc-pVQZ

States and conformations

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