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	hartrees
Energy at 0K	-138.308531
Energy at 298.15K	-138.309600
HF Energy	-138.308531
Nuclear repulsion energy	31.515927

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3158	3047	5.87
2	A'	1540	1486	5.10
3	A'	1181	1140	55.93
4	A'	353	341	78.46
5	A"	3313	3196	23.80
6	A"	1168	1127	5.48

Atom	x (Å)	y (Å)	z (Å)
C1	0.017	0.670	0.000
F2	0.017	-0.703	0.000
H3	-0.130	1.156	0.954
H4	-0.130	1.156	-0.954

	C1	F2	H3	H4
C1		1.3728	1.0808	1.0808
F2	1.3728		2.0946	2.0946
H3	1.0808	2.0946		1.9081
H4	1.0808	2.0946	1.9081

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
F2	C1	H3	116.725		F2	C1	H4	116.725
H3	C1	H4	123.947

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

using model chemistry: B3LYPultrafine/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	-0.112
2	F	-0.256
3	H	0.184
4	H	0.184

	x	y	z	Total
	-0.299	1.343	0.000	1.376
CHELPG
AIM
ESP

	x	y	z
x	0.687	-0.076	0.000
y	-0.076	1.812	0.000
z	0.000	0.000	1.561

<r²>	18.631
(<r²>)^1/2	4.316

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

using model chemistry: B3LYPultrafine/3-21G

States and conformations

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