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	hartrees
Energy at 0K	-391.158554
Energy at 298.15K
HF Energy	-391.158554
Nuclear repulsion energy	63.128363

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	2254	2152	31.86	184.63	0.04	0.08
2	A₁	1005	959	205.59	3.70	0.61	0.75
3	A₁	891	851	29.87	5.27	0.35	0.52
4	E	2259	2157	140.93	49.25	0.75	0.86
4	E	2259	2157	140.95	49.25	0.75	0.86
5	E	958	915	81.20	12.11	0.75	0.86
5	E	958	915	81.21	12.11	0.75	0.86
6	E	728	695	53.60	7.54	0.75	0.86
6	E	728	695	53.60	7.55	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
Si1	0.000	0.000	0.498
F2	0.000	0.000	-1.099
H3	0.000	1.404	0.973
H4	-1.216	-0.702	0.973
H5	1.216	-0.702	0.973

	Si1	F2	H3	H4	H5
Si1		1.5963	1.4820	1.4820	1.4820
F2	1.5963		2.5021	2.5021	2.5021
H3	1.4820	2.5021		2.4317	2.4317
H4	1.4820	2.5021	2.4317		2.4317
H5	1.4820	2.5021	2.4317	2.4317

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F2	Si1	H3	108.681	F2	Si1	H4	108.681
F2	Si1	H5	108.681	H3	Si1	H4	110.249
H3	Si1	H5	110.249	H4	Si1	H5	110.249

All results from a given calculation for SiH₃F (monofluorosilane)

using model chemistry: mPW1PW91/6-31G(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	Si	0.213
2	F	-0.241
3	H	0.009
4	H	0.009
5	H	0.009

	x	y	z	Total
	0.000	0.000	1.118	1.118
CHELPG
AIM
ESP

<r²>	35.353
(<r²>)^1/2	5.946

All results from a given calculation for SiH3F (monofluorosilane)

using model chemistry: mPW1PW91/6-31G(2df,p)

States and conformations

All results from a given calculation for SiH₃F (monofluorosilane)