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	hartrees
Energy at 0K	-139.084730
Energy at 298.15K	-139.085962
HF Energy	-139.084730
Nuclear repulsion energy	32.351727

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3154	3154	12.37
2	A'	1474	1474	5.94
3	A'	1219	1219	123.38
4	A'	537	537	50.40
5	A"	3313	3313	9.13
6	A"	1179	1179	7.81

Atom	x (Å)	y (Å)	z (Å)
C1	0.025	0.650	0.000
F2	0.025	-0.679	0.000
H3	-0.189	1.104	0.954
H4	-0.189	1.104	-0.954

	C1	F2	H3	H4
C1		1.3290	1.0782	1.0782
F2	1.3290		2.0337	2.0337
H3	1.0782	2.0337		1.9080
H4	1.0782	2.0337	1.9080

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
F2	C1	H3	114.914		F2	C1	H4	114.914
H3	C1	H4	124.464

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

using model chemistry: B1B95/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	-0.035
2	F	-0.178
3	H	0.106
4	H	0.106

	x	y	z	Total
	-0.389	1.227	0.000	1.287
CHELPG
AIM
ESP

	x	y	z
x	1.782	-0.053	0.000
y	-0.053	2.271	0.000
z	0.000	0.000	2.086

<r²>	18.194
(<r²>)^1/2	4.265

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

using model chemistry: B1B95/Def2TZVPP

States and conformations

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