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	hartrees
Energy at 0K	-138.942238
Energy at 298.15K	-138.943499
HF Energy	-138.942238
Nuclear repulsion energy	32.367228

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3144	3011	12.16
2	A'	1489	1426	7.77
3	A'	1245	1192	94.91
4	A'	576	552	38.17
5	A"	3296	3157	15.72
6	A"	1185	1134	8.19

Atom	x (Å)	y (Å)	z (Å)
C1	0.027	0.647	0.000
F2	0.027	-0.678	0.000
H3	-0.202	1.111	0.953
H4	-0.202	1.111	-0.953

	C1	F2	H3	H4
C1		1.3251	1.0847	1.0847
F2	1.3251		2.0398	2.0398
H3	1.0847	2.0398		1.9068
H4	1.0847	2.0398	1.9068

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
F2	C1	H3	115.307		F2	C1	H4	115.307
H3	C1	H4	123.038

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

using model chemistry: HSEh1PBE/6-31G(2df,p)

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	-0.208
2	F	-0.079
3	H	0.143
4	H	0.143

	x	y	z	Total
	-0.365	1.093	0.000	1.152
CHELPG
AIM
ESP

	x	y	z
x	1.322	-0.099	0.000
y	-0.099	2.047	0.000
z	0.000	0.000	2.002

<r²>	17.991
(<r²>)^1/2	4.242

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

using model chemistry: HSEh1PBE/6-31G(2df,p)

States and conformations

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