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	hartrees
Energy at 0K	-138.153941
Energy at 298.15K	-138.154913
HF Energy	-138.153941
Nuclear repulsion energy	31.336301

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3084	3056	6.16
2	A'	1500	1486	3.53
3	A'	1164	1153	47.13
4	A'	277	274	90.96
5	A"	3236	3206	27.13
6	A"	1137	1127	3.60

Atom	x (Å)	y (Å)	z (Å)
C1	0.015	0.672	0.000
F2	0.015	-0.707	0.000
H3	-0.110	1.168	0.962
H4	-0.110	1.168	-0.962

	C1	F2	H3	H4
C1		1.3790	1.0898	1.0898
F2	1.3790		2.1110	2.1110
H3	1.0898	2.1110		1.9249
H4	1.0898	2.1110	1.9249

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
F2	C1	H3	117.062		F2	C1	H4	117.062
H3	C1	H4	124.051

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

using model chemistry: PBEPBEultrafine/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
	-0.259	1.174	0.000	1.203
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: PBEPBEultrafine/3-21G

States and conformations

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