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	hartrees
Energy at 0K	-139.143221
Energy at 298.15K	-139.144410
HF Energy	-139.143221
Nuclear repulsion energy	32.161083

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3132	3035	11.82
2	A'	1465	1419	4.27
3	A'	1174	1137	128.79
4	A'	484	469	54.37
5	A"	3291	3188	5.59
6	A"	1169	1133	7.46

Atom	x (Å)	y (Å)	z (Å)
C1	0.023	0.655	0.000
F2	0.023	-0.684	0.000
H3	-0.172	1.112	0.957
H4	-0.172	1.112	-0.957

	C1	F2	H3	H4
C1		1.3392	1.0785	1.0785
F2	1.3392		2.0442	2.0442
H3	1.0785	2.0442		1.9150
H4	1.0785	2.0442	1.9150

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
F2	C1	H3	115.024		F2	C1	H4	115.024
H3	C1	H4	125.200

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

using model chemistry: B3LYP/aug-cc-pVQZ

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	-0.210
2	F	-0.471
3	H	0.341
4	H	0.341

	x	y	z	Total
	-0.355	1.253	0.000	1.302
CHELPG
AIM
ESP

	x	y	z
x	2.399	-0.025	0.000
y	-0.025	2.659	0.000
z	0.000	0.000	2.434

<r²>	18.468
(<r²>)^1/2	4.297

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

using model chemistry: B3LYP/aug-cc-pVQZ

States and conformations

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