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	hartrees
Energy at 0K	-139.062042
Energy at 298.15K	-139.063184
HF Energy	-139.062042
Nuclear repulsion energy	31.546486

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3057	3051	11.78
2	A'	1394	1392	2.21
3	A'	1095	1093	119.06
4	A'	448	447	54.54
5	A"	3229	3223	6.13
6	A"	1113	1111	6.01

Atom	x (Å)	y (Å)	z (Å)
C1	0.023	0.671	0.000
F2	0.023	-0.697	0.000
H3	-0.174	1.125	0.976
H4	-0.174	1.125	-0.976

	C1	F2	H3	H4
C1		1.3680	1.0948	1.0948
F2	1.3680		2.0767	2.0767
H3	1.0948	2.0767		1.9527
H4	1.0948	2.0767	1.9527

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
F2	C1	H3	114.508		F2	C1	H4	114.508
H3	C1	H4	126.201

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

using model chemistry: BLYP/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	0.929
2	F	-0.271
3	H	-0.329
4	H	-0.329

	x	y	z	Total
	-0.356	1.245	0.000	1.295
CHELPG
AIM
ESP

	x	y	z
x	2.419	-0.036	0.000
y	-0.036	2.807	0.000
z	0.000	0.000	2.492

<r²>	19.020
(<r²>)^1/2	4.361

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

using model chemistry: BLYP/aug-cc-pVDZ

States and conformations

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