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	hartrees
Energy at 0K	-139.076346
Energy at 298.15K	-139.077584
HF Energy	-139.076346
Nuclear repulsion energy	32.352207

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3147	3012	12.78
2	A'	1475	1412	5.57
3	A'	1222	1169	116.40
4	A'	542	518	46.19
5	A"	3307	3165	11.33
6	A"	1179	1129	7.65

Atom	x (Å)	y (Å)	z (Å)
C1	0.025	0.650	0.000
F2	0.025	-0.679	0.000
H3	-0.191	1.105	0.953
H4	-0.191	1.105	-0.953

	C1	F2	H3	H4
C1		1.3289	1.0783	1.0783
F2	1.3289		2.0343	2.0343
H3	1.0783	2.0343		1.9065
H4	1.0783	2.0343	1.9065

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
F2	C1	H3	114.965		F2	C1	H4	114.965
H3	C1	H4	124.274

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

using model chemistry: B1B95/cc-pVTZ

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	-0.019
2	F	-0.162
3	H	0.091
4	H	0.091

	x	y	z	Total
	-0.372	1.213	0.000	1.268
CHELPG
AIM
ESP

	x	y	z
x	1.596	-0.076	0.000
y	-0.076	2.190	0.000
z	0.000	0.000	2.038

<r²>	18.138
(<r²>)^1/2	4.259

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

using model chemistry: B1B95/cc-pVTZ

States and conformations

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