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	hartrees
Energy at 0K	-139.000543
Energy at 298.15K	-139.001747
HF Energy	-139.000543
Nuclear repulsion energy	32.280800

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3150	3150	11.99
2	A'	1469	1469	5.44
3	A'	1212	1212	121.27
4	A'	500	500	52.86
5	A"	3308	3308	8.14
6	A"	1173	1173	7.42

Atom	x (Å)	y (Å)	z (Å)
C1	0.024	0.651	0.000
F2	0.024	-0.681	0.000
H3	-0.178	1.110	0.957
H4	-0.178	1.110	-0.957

	C1	F2	H3	H4
C1		1.3316	1.0806	1.0806
F2	1.3316		2.0403	2.0403
H3	1.0806	2.0403		1.9147
H4	1.0806	2.0403	1.9147

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
F2	C1	H3	115.126		F2	C1	H4	115.126
H3	C1	H4	124.726

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

using model chemistry: HSEh1PBE/Def2TZVPP

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	-0.021
2	F	-0.178
3	H	0.100
4	H	0.100

	x	y	z	Total
	-0.366	1.248	0.000	1.300
CHELPG
AIM
ESP

	x	y	z
x	1.784	-0.052	0.000
y	-0.052	2.274	0.000
z	0.000	0.000	2.085

<r²>	18.262
(<r²>)^1/2	4.273

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

using model chemistry: HSEh1PBE/Def2TZVPP

States and conformations

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