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	hartrees
Energy at 0K	-238.087511
Energy at 298.15K	-238.088724
HF Energy	-238.087511
Nuclear repulsion energy	69.342104

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3000	2983	38.06
2	A'	1137	1131	80.40
3	A'	953	947	9.34
4	A'	527	524	3.10
5	A"	1284	1277	88.40
6	A"	1148	1142	176.10

Atom	x (Å)	y (Å)	z (Å)
C1	0.031	0.513	0.000
H2	-0.748	1.306	0.000
F3	0.031	-0.244	1.110
F4	0.031	-0.244	-1.110

	C1	H2	F3	F4
C1		1.1115	1.3432	1.3432
H2	1.1115		2.0591	2.0591
F3	1.3432	2.0591		2.2194
F4	1.3432	2.0591	2.2194

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
H2	C1	F3	113.694		H2	C1	F4	113.694
F3	C1	F4	111.410

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

using model chemistry: PBEPBE/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	0.202
2	H	0.046
3	F	-0.124
4	F	-0.124

	x	y	z	Total
	-0.687	0.922	0.000	1.150
CHELPG
AIM
ESP

	x	y	z
x	1.466	-0.303	0.000
y	-0.303	1.841	0.000
z	0.000	0.000	2.136

<r²>	36.814
(<r²>)^1/2	6.067

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

using model chemistry: PBEPBE/cc-pVDZ

States and conformations

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