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	hartrees
Energy at 0K	-138.163773
Energy at 298.15K	-138.164842
HF Energy	-138.163773
Nuclear repulsion energy	31.607724

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3180	3055	5.26
2	A'	1540	1479	4.85
3	A'	1206	1158	58.17
4	A'	352	338	80.74
5	A"	3337	3205	20.40
6	A"	1172	1125	5.04

Atom	x (Å)	y (Å)	z (Å)
C1	0.017	0.667	0.000
F2	0.017	-0.701	0.000
H3	-0.128	1.153	0.954
H4	-0.128	1.153	-0.954

	C1	F2	H3	H4
C1		1.3674	1.0809	1.0809
F2	1.3674		2.0899	2.0899
H3	1.0809	2.0899		1.9089
H4	1.0809	2.0899	1.9089

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
F2	C1	H3	116.735		F2	C1	H4	116.735
H3	C1	H4	124.020

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

using model chemistry: PBE1PBE/3-21G

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	-0.142
2	F	-0.268
3	H	0.205
4	H	0.205

	x	y	z	Total
	-0.298	1.415	0.000	1.446
CHELPG
AIM
ESP

	x	y	z
x	0.688	-0.073	0.000
y	-0.073	1.783	0.000
z	0.000	0.000	1.554

<r²>	18.563
(<r²>)^1/2	4.308

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

using model chemistry: PBE1PBE/3-21G

States and conformations

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