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	hartrees
Energy at 0K	-388.917768
Energy at 298.15K
HF Energy	-388.917768
Nuclear repulsion energy	62.282852

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)	Raman Act (Å⁴/u)	Dep P	Dep U
1	A₁	2221	2118	39.36	165.05	0.03	0.07
2	A₁	1057	1008	216.55	15.05	0.55	0.71
3	A₁	906	864	5.28	8.23	0.52	0.68
4	E	2226	2122	161.63	51.89	0.75	0.86
4	E	2226	2122	161.66	51.89	0.75	0.86
5	E	896	854	83.30	24.77	0.75	0.86
5	E	896	854	83.30	24.77	0.75	0.86
6	E	753	718	63.23	9.48	0.75	0.86
6	E	753	718	63.23	9.48	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
Si1	0.000	0.000	0.501
F2	0.000	0.000	-1.117
H3	0.000	1.409	1.012
H4	-1.220	-0.704	1.012
H5	1.220	-0.704	1.012

	Si1	F2	H3	H4	H5
Si1		1.6182	1.4985	1.4985	1.4985
F2	1.6182		2.5528	2.5528	2.5528
H3	1.4985	2.5528		2.4401	2.4401
H4	1.4985	2.5528	2.4401		2.4401
H5	1.4985	2.5528	2.4401	2.4401

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F2	Si1	H3	109.925	F2	Si1	H4	109.925
F2	Si1	H5	109.925	H3	Si1	H4	109.014
H3	Si1	H5	109.014	H4	Si1	H5	109.014

All results from a given calculation for SiH₃F (monofluorosilane)

using model chemistry: PBEPBE/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	Si	0.485
2	F	-0.260
3	H	-0.075
4	H	-0.075
5	H	-0.075

	x	y	z	Total
	0.000	0.000	0.893	0.893
CHELPG
AIM
ESP

<r²>	36.268
(<r²>)^1/2	6.022

All results from a given calculation for SiH3F (monofluorosilane)

using model chemistry: PBEPBE/3-21G*

States and conformations

All results from a given calculation for SiH₃F (monofluorosilane)