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	hartrees
Energy at 0K	-238.413095
Energy at 298.15K
HF Energy	-238.413095
Nuclear repulsion energy	69.962851

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'	3100	2992	21.10	98.45	0.22	0.35
2	A'	1160	1119	92.89	5.80	0.22	0.37
3	A'	1005	970	6.09	0.86	0.71	0.83
4	A'	539	521	3.80	1.09	0.66	0.79
5	A"	1319	1273	43.73	1.96	0.75	0.86
6	A"	1166	1125	260.68	3.55	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.030	0.513	0.000
H2	-0.732	1.293	0.000
F3	0.030	-0.243	1.098
F4	0.030	-0.243	-1.098

	C1	H2	F3	F4
C1		1.0901	1.3335	1.3335
H2	1.0901		2.0360	2.0360
F3	1.3335	2.0360		2.1966
F4	1.3335	2.0360	2.1966

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
H2	C1	F3	113.921		H2	C1	F4	113.921
F3	C1	F4	110.898

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

using model chemistry: TPSSh/aug-cc-pVTZ

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	0.207
2	H	0.294
3	F	-0.250
4	F	-0.250

	x	y	z	Total
	-0.728	1.153	0.000	1.364
CHELPG
AIM
ESP

	x	y	z
x	2.284	-0.119	0.000
y	-0.119	2.589	0.000
z	0.000	0.000	2.824

<r²>	36.600
(<r²>)^1/2	6.050

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

using model chemistry: TPSSh/aug-cc-pVTZ

States and conformations

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