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	hartrees
Energy at 0K	-386.307531
Energy at 298.15K
HF Energy	-386.307531
Nuclear repulsion energy	62.124582

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	2663	2663	16.54	66.04	0.04	0.08
2	A₁	1134	1134	208.45	8.82	0.71	0.83
3	A₁	879	879	3.62	3.45	0.40	0.57
4	E	2708	2708	36.86	36.73	0.75	0.86
4	E	2708	2708	36.81	36.74	0.75	0.86
5	E	1123	1123	69.17	21.37	0.75	0.86
5	E	1123	1123	69.13	21.37	0.75	0.86
6	E	774	774	70.23	6.24	0.75	0.86
6	E	774	774	70.23	6.23	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
Si1	0.000	0.000	0.514
F2	0.000	0.000	-1.135
H3	0.000	1.359	1.006
H4	-1.177	-0.680	1.006
H5	1.177	-0.680	1.006

	Si1	F2	H3	H4	H5
Si1		1.6489	1.4453	1.4453	1.4453
F2	1.6489		2.5355	2.5355	2.5355
H3	1.4453	2.5355		2.3541	2.3541
H4	1.4453	2.5355	2.3541		2.3541
H5	1.4453	2.5355	2.3541	2.3541

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F2	Si1	H3	109.884	F2	Si1	H4	109.884
F2	Si1	H5	109.884	H3	Si1	H4	109.056
H3	Si1	H5	109.056	H4	Si1	H5	109.056

All results from a given calculation for SiH₃F (monofluorosilane)

using model chemistry: wB97X-D/STO-3G

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	0.643
2	F	-0.245
3	H	-0.133
4	H	-0.133
5	H	-0.133

	x	y	z	Total
	0.000	0.000	0.667	0.667
CHELPG
AIM
ESP

<r²>	35.031
(<r²>)^1/2	5.919

All results from a given calculation for SiH3F (monofluorosilane)

using model chemistry: wB97X-D/STO-3G

States and conformations

All results from a given calculation for SiH₃F (monofluorosilane)