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	hartrees
Energy at 0K	-391.176448
Energy at 298.15K
HF Energy	-391.176448
Nuclear repulsion energy	61.831714

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	2190	2159	33.93	258.46	0.04	0.08
2	A₁	964	950	206.87	13.67	0.68	0.81
3	A₁	813	802	74.40	6.05	0.45	0.62
4	E	2203	2171	149.80	71.47	0.75	0.86
4	E	2203	2171	149.87	71.46	0.75	0.86
5	E	935	921	86.74	21.12	0.75	0.86
5	E	935	921	86.75	21.12	0.75	0.86
6	E	700	689	52.12	17.74	0.75	0.86
6	E	700	689	52.13	17.74	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
Si1	0.000	0.000	0.514
F2	0.000	0.000	-1.126
H3	0.000	1.416	0.980
H4	-1.226	-0.708	0.980
H5	1.226	-0.708	0.980

	Si1	F2	H3	H4	H5
Si1		1.6404	1.4907	1.4907	1.4907
F2	1.6404		2.5384	2.5384	2.5384
H3	1.4907	2.5384		2.4523	2.4523
H4	1.4907	2.5384	2.4523		2.4523
H5	1.4907	2.5384	2.4523	2.4523

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F2	Si1	H3	108.235	F2	Si1	H4	108.235
F2	Si1	H5	108.235	H3	Si1	H4	110.678
H3	Si1	H5	110.678	H4	Si1	H5	110.678

All results from a given calculation for SiH₃F (monofluorosilane)

using model chemistry: B97D3/TZVP

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	0.624
2	F	-0.340
3	H	-0.094
4	H	-0.094
5	H	-0.094

	x	y	z	Total
	0.000	0.000	1.568	1.568
CHELPG
AIM
ESP

<r²>	36.639
(<r²>)^1/2	6.053

All results from a given calculation for SiH3F (monofluorosilane)

using model chemistry: B97D3/TZVP

States and conformations

All results from a given calculation for SiH₃F (monofluorosilane)