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	hartrees
Energy at 0K	-139.029981
Energy at 298.15K	-139.031259
HF Energy	-139.029981
Nuclear repulsion energy	32.195068

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3178	3013	13.38
2	A'	1515	1437	9.91
3	A'	1232	1168	100.76
4	A'	612	580	38.43
5	A"	3326	3154	23.11
6	A"	1193	1131	7.81

Atom	x (Å)	y (Å)	z (Å)
C1	0.029	0.653	0.000
F2	0.029	-0.682	0.000
H3	-0.215	1.110	0.952
H4	-0.215	1.110	-0.952

	C1	F2	H3	H4
C1		1.3355	1.0835	1.0835
F2	1.3355		2.0441	2.0441
H3	1.0835	2.0441		1.9035
H4	1.0835	2.0441	1.9035

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
F2	C1	H3	114.946		F2	C1	H4	114.946
H3	C1	H4	122.899

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

using model chemistry: mPW1PW91/6-31G*

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	-0.080
2	F	-0.247
3	H	0.164
4	H	0.164

	x	y	z	Total
	-0.410	1.217	0.000	1.284
CHELPG
AIM
ESP

	x	y	z
x	1.038	-0.124	0.000
y	-0.124	1.872	0.000
z	0.000	0.000	1.811

<r²>	18.070
(<r²>)^1/2	4.251

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

using model chemistry: mPW1PW91/6-31G*

States and conformations

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