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	hartrees
Energy at 0K	-105.559803
Energy at 298.15K
HF Energy	-105.559803
Nuclear repulsion energy	21.702517

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	2241	2154	35.93	231.04	0.04	0.07
2	A₁	984	946	210.02	20.21	0.68	0.81
3	A₁	762	732	44.74	6.45	0.37	0.54
4	E	2262	2174	117.84	70.34	0.75	0.86
4	E	2262	2174	117.84	70.35	0.75	0.86
5	E	949	912	75.22	36.30	0.75	0.86
5	E	949	912	75.22	36.30	0.75	0.86
6	E	698	671	56.15	16.89	0.75	0.86
6	E	698	671	56.14	16.90	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
Si1	0.000	0.000	0.534
F2	0.000	0.000	-1.164
H3	0.000	1.406	0.997
H4	-1.218	-0.703	0.997
H5	1.218	-0.703	0.997

	Si1	F2	H3	H4	H5
Si1		1.6979	1.4805	1.4805	1.4805
F2	1.6979		2.5782	2.5782	2.5782
H3	1.4805	2.5782		2.4357	2.4357
H4	1.4805	2.5782	2.4357		2.4357
H5	1.4805	2.5782	2.4357	2.4357

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F2	Si1	H3	108.224	F2	Si1	H4	108.224
F2	Si1	H5	108.224	H3	Si1	H4	110.689
H3	Si1	H5	110.689	H4	Si1	H5	110.689

All results from a given calculation for SiH₃F (monofluorosilane)

using model chemistry: B3LYP/LANL2DZ

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	0.810
2	F	-0.533
3	H	-0.092
4	H	-0.092
5	H	-0.092

	x	y	z	Total
	0.000	0.000	2.539	2.539
CHELPG
AIM
ESP

<r²>	34.307
(<r²>)^1/2	5.857

All results from a given calculation for SiH3F (monofluorosilane)

using model chemistry: B3LYP/LANL2DZ

States and conformations

All results from a given calculation for SiH₃F (monofluorosilane)