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	hartrees
Energy at 0K	-238.305484
Energy at 298.15K	-238.306722
HF Energy	-238.305484
Nuclear repulsion energy	69.854506

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3120	2989	41.92
2	A'	1186	1136	82.84
3	A'	1020	977	12.19
4	A'	536	513	3.85
5	A"	1374	1316	89.39
6	A"	1205	1154	178.44

Atom	x (Å)	y (Å)	z (Å)
C1	0.030	0.508	0.000
H2	-0.731	1.293	0.000
F3	0.030	-0.241	1.103
F4	0.030	-0.241	-1.103

	C1	H2	F3	F4
C1		1.0931	1.3337	1.3337
H2	1.0931		2.0370	2.0370
F3	1.3337	2.0370		2.2069
F4	1.3337	2.0370	2.2069

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
H2	C1	F3	113.780		H2	C1	F4	113.780
F3	C1	F4	111.652

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

using model chemistry: B3LYPultrafine/6-31G*

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	0.324
2	H	0.139
3	F	-0.231
4	F	-0.231

	x	y	z	Total
	-0.648	1.039	0.000	1.225
CHELPG
AIM
ESP

	x	y	z
x	1.418	-0.291	0.000
y	-0.291	1.801	0.000
z	0.000	0.000	2.042

<r²>	36.356
(<r²>)^1/2	6.030

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

using model chemistry: B3LYPultrafine/6-31G*

States and conformations

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