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	hartrees
Energy at 0K	-138.982560
Energy at 298.15K	-138.983714
HF Energy	-138.982560
Nuclear repulsion energy	31.964722

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3063	3026	11.88
2	A'	1417	1400	3.85
3	A'	1159	1145	108.23
4	A'	454	448	57.11
5	A"	3219	3180	9.81
6	A"	1132	1118	5.96

Atom	x (Å)	y (Å)	z (Å)
C1	-0.031	0.725	0.000
F2	-0.031	-0.708	0.000
H3	0.229	1.010	1.002
H4	0.229	1.010	-1.002

	C1	F2	H3	H4
C1		1.4331	1.0734	1.0734
F2	1.4331		2.0055	2.0055
H3	1.0734	2.0055		2.0038
H4	1.0734	2.0055	2.0038

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
F2	C1	H3	105.382		F2	C1	H4	105.382
H3	C1	H4	137.948

All results from a given calculation for CH₂F (fluoromethyl radical)

using model chemistry: PBEPBE/Def2TZVPP

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	-0.055
2	F	-0.151
3	H	0.103
4	H	0.103

	x	y	z	Total
	0.358	1.143	0.000	1.197
CHELPG
AIM
ESP

	x	y	z
x	1.870	0.052	0.000
y	0.052	2.419	0.000
z	0.000	0.000	2.182

<r²>	18.564
(<r²>)^1/2	4.309

All results from a given calculation for CH2F (fluoromethyl radical)

using model chemistry: PBEPBE/Def2TZVPP

States and conformations

All results from a given calculation for CH₂F (fluoromethyl radical)