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	hartrees
Energy at 0K	-390.913646
Energy at 298.15K
HF Energy	-390.913646
Nuclear repulsion energy	62.527940

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	2174	2152	30.54	187.95	0.04	0.08
2	A₁	970	960	180.61	4.02	0.57	0.73
3	A₁	857	848	23.28	6.36	0.34	0.51
4	E	2183	2161	130.22	51.20	0.75	0.86
4	E	2183	2161	130.24	51.19	0.75	0.86
5	E	918	908	68.25	12.87	0.75	0.86
5	E	918	908	68.26	12.88	0.75	0.86
6	E	701	694	45.76	8.08	0.75	0.86
6	E	701	694	45.76	8.08	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
Si1	0.000	0.000	0.502
F2	0.000	0.000	-1.109
H3	0.000	1.416	0.984
H4	-1.226	-0.708	0.984
H5	1.226	-0.708	0.984

	Si1	F2	H3	H4	H5
Si1		1.6119	1.4955	1.4955	1.4955
F2	1.6119		2.5271	2.5271	2.5271
H3	1.4955	2.5271		2.4526	2.4526
H4	1.4955	2.5271	2.4526		2.4526
H5	1.4955	2.5271	2.4526	2.4526

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F2	Si1	H3	108.770	F2	Si1	H4	108.770
F2	Si1	H5	108.770	H3	Si1	H4	110.163
H3	Si1	H5	110.163	H4	Si1	H5	110.163

All results from a given calculation for SiH₃F (monofluorosilane)

using model chemistry: PBEPBEultrafine/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	0.106
2	F	-0.171
3	H	0.022
4	H	0.022
5	H	0.022

	x	y	z	Total
	0.000	0.000	1.036	1.036
CHELPG
AIM
ESP

<r²>	35.874
(<r²>)^1/2	5.989

All results from a given calculation for SiH3F (monofluorosilane)

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

States and conformations

All results from a given calculation for SiH₃F (monofluorosilane)