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	hartrees
Energy at 0K	-31.047990
Energy at 298.15K	-31.051028
HF Energy	-31.047990
Nuclear repulsion energy	22.604538

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3262	2941	42.01
2	A₁	1602	1444	3.68
3	A₁	1067	962	128.20
4	E	3384	3050	78.19
4	E	3384	3050	78.19
5	E	1630	1469	5.37
5	E	1630	1469	5.37
6	E	1259	1134	2.31
6	E	1259	1134	2.31

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.658
F2	0.000	0.000	0.767
H3	0.000	1.033	-0.987
H4	0.894	-0.516	-0.987
H5	-0.894	-0.516	-0.987

	C1	F2	H3	H4	H5
C1		1.4248	1.0840	1.0840	1.0840
F2	1.4248		2.0353	2.0353	2.0353
H3	1.0840	2.0353		1.7890	1.7890
H4	1.0840	2.0353	1.7890		1.7890
H5	1.0840	2.0353	1.7890	1.7890

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F2	C1	H3	107.667	F2	C1	H4	107.667
F2	C1	H5	107.667	H3	C1	H4	111.213
H3	C1	H5	111.213	H4	C1	H5	111.213

All results from a given calculation for CH₃F (Methyl fluoride)

using model chemistry: HF/CEP-31G

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	-0.104
2	F	-0.365
3	H	0.157
4	H	0.157
5	H	0.157

	x	y	z	Total
	0.000	0.000	-2.836	2.836
CHELPG
AIM
ESP

<r²>	19.449
(<r²>)^1/2	4.410

All results from a given calculation for CH3F (Methyl fluoride)

using model chemistry: HF/CEP-31G

States and conformations

All results from a given calculation for CH₃F (Methyl fluoride)