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	hartrees
Energy at 0K	-138.153945
Energy at 298.15K	-138.154916
HF Energy	-138.153945
Nuclear repulsion energy	31.336399

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3085	2942	6.15
2	A'	1500	1430	3.53
3	A'	1164	1110	47.12
4	A'	278	265	91.14
5	A"	3237	3087	27.11
6	A"	1137	1085	3.61

Atom	x (Å)	y (Å)	z (Å)
C1	0.015	0.672	0.000
F2	0.015	-0.707	0.000
H3	-0.109	1.168	0.962
H4	-0.109	1.168	-0.962

	C1	F2	H3	H4
C1		1.3790	1.0897	1.0897
F2	1.3790		2.1111	2.1111
H3	1.0897	2.1111		1.9249
H4	1.0897	2.1111	1.9249

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
F2	C1	H3	117.065		F2	C1	H4	117.065
H3	C1	H4	124.063

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

using model chemistry: PBEPBE/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	-0.165
2	F	-0.220
3	H	0.192
4	H	0.192

	x	y	z	Total
	-0.258	1.174	0.000	1.202
CHELPG
AIM
ESP

	x	y	z
x	0.705	-0.064	0.000
y	-0.064	1.897	0.000
z	0.000	0.000	1.606

<r²>	18.798
(<r²>)^1/2	4.336

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

using model chemistry: PBEPBE/3-21G*

States and conformations

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