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	hartrees
Energy at 0K	-238.144727
Energy at 298.15K	-238.145988
HF Energy	-238.144727
Nuclear repulsion energy	70.425279

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3144	3014	35.32
2	A'	1201	1151	100.07
3	A'	1027	984	12.97
4	A'	556	533	4.67
5	A"	1372	1315	89.80
6	A"	1215	1165	218.83

Atom	x (Å)	y (Å)	z (Å)
C1	0.031	0.505	0.000
H2	-0.735	1.282	0.000
F3	0.031	-0.240	1.093
F4	0.031	-0.240	-1.093

	C1	H2	F3	F4
C1		1.0906	1.3228	1.3228
H2	1.0906		2.0240	2.0240
F3	1.3228	2.0240		2.1865
F4	1.3228	2.0240	2.1865

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
H2	C1	F3	113.643		H2	C1	F4	113.643
F3	C1	F4	111.478

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

using model chemistry: PBE1PBE/6-311G*

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	0.153
2	H	0.203
3	F	-0.178
4	F	-0.178

	x	y	z	Total
	-0.729	1.152	0.000	1.364
CHELPG
AIM
ESP

	x	y	z
x	1.425	-0.229	0.000
y	-0.229	1.760	0.000
z	0.000	0.000	2.016

<r²>	36.098
(<r²>)^1/2	6.008

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

using model chemistry: PBE1PBE/6-311G*

States and conformations

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