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	hartrees
Energy at 0K	-138.978563
Energy at 298.15K	-138.979715
HF Energy	-138.978563
Nuclear repulsion energy	31.943676

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3063	3028	12.26
2	A'	1411	1395	3.39
3	A'	1152	1139	119.00
4	A'	448	443	57.40
5	A"	3217	3181	6.41
6	A"	1128	1115	5.87

Atom	x (Å)	y (Å)	z (Å)
C1	0.023	0.659	0.000
F2	0.023	-0.688	0.000
H3	-0.170	1.119	0.967
H4	-0.170	1.119	-0.967

	C1	F2	H3	H4
C1		1.3474	1.0881	1.0881
F2	1.3474		2.0590	2.0590
H3	1.0881	2.0590		1.9338
H4	1.0881	2.0590	1.9338

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
F2	C1	H3	115.021		F2	C1	H4	115.021
H3	C1	H4	125.396

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

using model chemistry: PBEPBEultrafine/aug-cc-pVTZ

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	-0.398
2	F	-0.261
3	H	0.330
4	H	0.330

	x	y	z	Total
	-0.351	1.130	0.000	1.183
CHELPG
AIM
ESP

	x	y	z
x	2.535	-0.026	0.000
y	-0.026	2.795	0.000
z	0.000	0.000	2.545

<r²>	18.683
(<r²>)^1/2	4.322

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

using model chemistry: PBEPBEultrafine/aug-cc-pVTZ

States and conformations

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