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	hartrees
Energy at 0K	-137.626257
Energy at 298.15K	-137.627129
HF Energy	-137.626257
Nuclear repulsion energy	31.709529

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3094	3043	3.05
2	A'	1496	1471	2.39
3	A'	1226	1206	47.62
4	A'	199	196	118.89
5	A"	3249	3195	17.10
6	A"	1143	1124	3.07

Atom	x (Å)	y (Å)	z (Å)
C1	-0.000	0.659	0.000
F2	-0.000	-0.698	0.000
H3	0.000	1.164	0.966
H4	0.000	1.164	-0.966

	C1	F2	H3	H4
C1		1.3563	1.0901	1.0901
F2	1.3563		2.0976	2.0976
H3	1.0901	2.0976		1.9312
H4	1.0901	2.0976	1.9312

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
F2	C1	H3	117.648		F2	C1	H4	117.648
H3	C1	H4	124.703

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

using model chemistry: LSDA/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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Calc. vs exp. Bad Vib. HF vs MP2 Bad scale factors Low excited states Oddities NaCN Is not linear FAQ Help Units Choose Units Energy Bond length Rotational Constant Moment of Inertia Dipole and Quadrupole Polarizability Explanations Hartree cm-1 Debye Credits Just show me Show me a calculated geometry Summary Using older interface Limit Basis sets Method options List Recent molecules Choose a few Molecules Number of atoms By heavy atoms Diatomics InChI Deuterated Dimers Geometry Point group Point group count Bonds types Isodesmic reactions Bad point group Multiple conformers, states Vibrations Big anharmonicity Energy Enthalpy at 0 Kelvin Similar molecules Similar Isomers Cis/trans Tautomers Multiple conformers, states Ions, Dipoles, etc. List Ions Ionization changes point group Dipole Quadrupole Polarizability Proton Affinities Index of CCCBDB Feedback Error form Wants
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Number	Element	Mulliken
1	C	-0.199
2	F	-0.206
3	H	0.202
4	H	0.202

	x	y	z	Total
	0.000	1.126	0.000	1.126
CHELPG
AIM
ESP

<r²>	18.550
(<r²>)^1/2	4.307

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

using model chemistry: LSDA/3-21G

States and conformations

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