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	hartrees
Energy at 0K	-139.091507
Energy at 298.15K	-139.092685
HF Energy	-139.091507
Nuclear repulsion energy	31.881921

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3137	3044	11.49
2	A'	1438	1396	2.99
3	A'	1153	1118	128.16
4	A'	475	461	53.59
5	A"	3309	3211	4.79
6	A"	1149	1115	7.20

Atom	x (Å)	y (Å)	z (Å)
C1	0.023	0.662	0.000
F2	0.023	-0.689	0.000
H3	-0.175	1.117	0.968
H4	-0.175	1.117	-0.968

	C1	F2	H3	H4
C1		1.3514	1.0880	1.0880
F2	1.3514		2.0588	2.0588
H3	1.0880	2.0588		1.9369
H4	1.0880	2.0588	1.9369

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
F2	C1	H3	114.696		F2	C1	H4	114.696
H3	C1	H4	125.774

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

using model chemistry: B3LYPultrafine/aug-cc-pVDZ

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	0.874
2	F	-0.312
3	H	-0.281
4	H	-0.281

	x	y	z	Total
	-0.359	1.308	0.000	1.356
CHELPG
AIM
ESP

	x	y	z
x	2.257	-0.034	0.000
y	-0.034	2.626	0.000
z	0.000	0.000	2.368

<r²>	18.682
(<r²>)^1/2	4.322

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

using model chemistry: B3LYPultrafine/aug-cc-pVDZ

States and conformations

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