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	hartrees
Energy at 0K	-138.929843
Energy at 298.15K	-138.931090
HF Energy	-138.929843
Nuclear repulsion energy	32.134584

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3146	3025	9.84
2	A'	1456	1400	8.49
3	A'	1220	1173	109.56
4	A'	559	537	39.25
5	A"	3308	3180	12.58
6	A"	1165	1121	9.19

Atom	x (Å)	y (Å)	z (Å)
C1	0.027	0.652	0.000
F2	0.027	-0.683	0.000
H3	-0.202	1.114	0.963
H4	-0.202	1.114	-0.963

	C1	F2	H3	H4
C1		1.3350	1.0924	1.0924
F2	1.3350		2.0516	2.0516
H3	1.0924	2.0516		1.9262
H4	1.0924	2.0516	1.9262

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
F2	C1	H3	115.013		F2	C1	H4	115.013
H3	C1	H4	123.669

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

using model chemistry: PBE1PBE/cc-pVDZ

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	0.061
2	F	-0.174
3	H	0.057
4	H	0.057

	x	y	z	Total
	-0.371	1.204	0.000	1.260
CHELPG
AIM
ESP

	x	y	z
x	1.143	-0.110	0.000
y	-0.110	1.918	0.000
z	0.000	0.000	1.815

<r²>	18.193
(<r²>)^1/2	4.265

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

using model chemistry: PBE1PBE/cc-pVDZ

States and conformations

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