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	hartrees
Energy at 0K	-138.308534
Energy at 298.15K	-138.309600
HF Energy	-138.308534
Nuclear repulsion energy	31.516142

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3158	3038	5.86
2	A'	1540	1482	5.10
3	A'	1181	1137	55.93
4	A'	354	340	78.55
5	A"	3313	3187	23.80
6	A"	1168	1123	5.48

Atom	x (Å)	y (Å)	z (Å)
C1	0.017	0.670	0.000
F2	0.017	-0.703	0.000
H3	-0.130	1.156	0.954
H4	-0.130	1.156	-0.954

	C1	F2	H3	H4
C1		1.3728	1.0808	1.0808
F2	1.3728		2.0946	2.0946
H3	1.0808	2.0946		1.9082
H4	1.0808	2.0946	1.9082

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
F2	C1	H3	116.727		F2	C1	H4	116.727
H3	C1	H4	123.954

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

using model chemistry: B3LYP/3-21G*

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	-0.112
2	F	-0.256
3	H	0.184
4	H	0.184

	x	y	z	Total
	-0.298	1.343	0.000	1.375
CHELPG
AIM
ESP

	x	y	z
x	0.687	-0.076	0.000
y	-0.076	1.812	0.000
z	0.000	0.000	1.561

<r²>	18.631
(<r²>)^1/2	4.316

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

using model chemistry: B3LYP/3-21G*

States and conformations

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