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	hartrees
Energy at 0K	-139.107968
Energy at 298.15K	-139.109232
HF Energy	-139.107968
Nuclear repulsion energy	32.088284

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3118	3013	14.82
2	A'	1482	1432	5.74
3	A'	1177	1137	114.06
4	A'	593	573	46.20
5	A"	3272	3162	22.61
6	A"	1183	1143	8.85

Atom	x (Å)	y (Å)	z (Å)
C1	0.028	0.658	0.000
F2	0.028	-0.684	0.000
H3	-0.213	1.107	0.956
H4	-0.213	1.107	-0.956

	C1	F2	H3	H4
C1		1.3422	1.0833	1.0833
F2	1.3422		2.0446	2.0446
H3	1.0833	2.0446		1.9115
H4	1.0833	2.0446	1.9115

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
F2	C1	H3	114.496		F2	C1	H4	114.496
H3	C1	H4	123.845

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

using model chemistry: B3LYPultrafine/6-311G*

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	-0.204
2	F	-0.197
3	H	0.200
4	H	0.200

	x	y	z	Total
	-0.440	1.315	0.000	1.387
CHELPG
AIM
ESP

	x	y	z
x	1.266	-0.105	0.000
y	-0.105	1.960	0.000
z	0.000	0.000	1.801

<r²>	18.315
(<r²>)^1/2	4.280

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

using model chemistry: B3LYPultrafine/6-311G*

States and conformations

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