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	hartrees
Energy at 0K	-238.318768
Energy at 298.15K	-238.319921
HF Energy	-238.318768
Nuclear repulsion energy	67.583765

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3187	3063	20.45
2	A'	1065	1024	90.28
3	A'	931	895	4.61
4	A'	484	465	7.21
5	A"	1284	1234	33.94
6	A"	1110	1067	230.94

Atom	x (Å)	y (Å)	z (Å)
C1	0.030	0.531	0.000
H2	-0.711	1.333	0.000
F3	0.030	-0.251	1.141
F4	0.030	-0.251	-1.141

	C1	H2	F3	F4
C1		1.0921	1.3828	1.3828
H2	1.0921		2.0879	2.0879
F3	1.3828	2.0879		2.2818
F4	1.3828	2.0879	2.2818

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
H2	C1	F3	114.539		H2	C1	F4	114.539
F3	C1	F4	111.184

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

using model chemistry: B3LYP/LANL2DZ

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	0.209
2	H	0.208
3	F	-0.209
4	F	-0.209

	x	y	z	Total
	-0.935	1.757	0.000	1.990
CHELPG
AIM
ESP

	x	y	z
x	1.115	-0.172	0.000
y	-0.172	1.680	0.000
z	0.000	0.000	2.142

<r²>	38.666
(<r²>)^1/2	6.218

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

using model chemistry: B3LYP/LANL2DZ

States and conformations

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