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	hartrees
Energy at 0K	-138.939444
Energy at 298.15K	-138.940591
HF Energy	-138.939444
Nuclear repulsion energy	31.710436

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3067	3048	12.20
2	A'	1391	1382	2.38
3	A'	1132	1125	118.67
4	A'	448	445	56.01
5	A"	3238	3218	6.09
6	A"	1114	1107	5.73

Atom	x (Å)	y (Å)	z (Å)
C1	0.023	0.665	0.000
F2	0.023	-0.693	0.000
H3	-0.175	1.123	0.976
H4	-0.175	1.123	-0.976

	C1	F2	H3	H4
C1		1.3577	1.0962	1.0962
F2	1.3577		2.0708	2.0708
H3	1.0962	2.0708		1.9522
H4	1.0962	2.0708	1.9522

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
F2	C1	H3	114.688		F2	C1	H4	114.688
H3	C1	H4	125.850

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

using model chemistry: PBEPBEultrafine/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	0.714
2	F	-0.275
3	H	-0.219
4	H	-0.219

	x	y	z	Total
	-0.360	1.174	0.000	1.227
CHELPG
AIM
ESP

	x	y	z
x	2.417	-0.032	0.000
y	-0.032	2.770	0.000
z	0.000	0.000	2.480

<r²>	18.860
(<r²>)^1/2	4.343

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

using model chemistry: PBEPBEultrafine/aug-cc-pVDZ

States and conformations

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