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	hartrees
Energy at 0K	-139.049234
Energy at 298.15K
HF Energy	-138.909174
Nuclear repulsion energy	32.173776

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3172	3043	12.61
2	A'	1482	1421	4.29
3	A'	1180	1132	127.82
4	A'	558	535	48.36
5	A"	3322	3186	5.03
6	A"	1182	1133	7.59

Atom	x (Å)	y (Å)	z (Å)
C1	-0.026	0.657	0.000
F2	-0.026	-0.684	0.000
H3	0.191	1.106	0.953
H4	0.191	1.106	-0.953

	C1	F2	H3	H4
C1		1.3401	1.0760	1.0760
F2	1.3401		2.0393	2.0393
H3	1.0760	2.0393		1.9061
H4	1.0760	2.0393	1.9061

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
F2	C1	H3	114.707		F2	C1	H4	114.707
H3	C1	H4	124.695

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

using model chemistry: B2PLYP=FULLultrafine/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	-0.496
2	F	-0.301
3	H	0.398
4	H	0.398

	x	y	z	Total
	0.390	1.290	0.000	1.347
CHELPG
AIM
ESP

	x	y	z
x	2.284	0.029	0.000
y	0.029	2.603	0.001
z	0.000	0.001	2.361

<r²>	18.443
(<r²>)^1/2	4.294

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

using model chemistry: B2PLYP=FULLultrafine/aug-cc-pVTZ

States and conformations

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