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	hartrees
Energy at 0K	-391.137296
Energy at 298.15K
HF Energy	-391.137296
Nuclear repulsion energy	62.106475

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	2187	2170	40.11	187.05	0.04	0.07
2	A₁	1019	1011	220.80	14.71	0.61	0.76
3	A₁	857	850	29.22	7.19	0.40	0.57
4	E	2195	2178	180.48	58.99	0.75	0.86
4	E	2194	2178	180.50	58.99	0.75	0.86
5	E	927	920	89.52	21.85	0.75	0.86
5	E	927	920	89.52	21.85	0.75	0.86
6	E	724	718	51.93	10.71	0.75	0.86
6	E	724	718	51.93	10.71	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
Si1	0.000	0.000	0.506
F2	0.000	0.000	-1.121
H3	0.000	1.409	1.001
H4	-1.221	-0.705	1.001
H5	1.221	-0.705	1.001

	Si1	F2	H3	H4	H5
Si1		1.6275	1.4938	1.4938	1.4938
F2	1.6275		2.5478	2.5478	2.5478
H3	1.4938	2.5478		2.4410	2.4410
H4	1.4938	2.5478	2.4410		2.4410
H5	1.4938	2.5478	2.4410	2.4410

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F2	Si1	H3	109.355	F2	Si1	H4	109.355
F2	Si1	H5	109.355	H3	Si1	H4	109.587
H3	Si1	H5	109.587	H4	Si1	H5	109.587

All results from a given calculation for SiH₃F (monofluorosilane)

using model chemistry: BLYP/6-31G**

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	0.642
2	F	-0.352
3	H	-0.097
4	H	-0.097
5	H	-0.097

	x	y	z	Total
	0.000	0.000	1.183	1.183
CHELPG
AIM
ESP

<r²>	36.277
(<r²>)^1/2	6.023

All results from a given calculation for SiH3F (monofluorosilane)

using model chemistry: BLYP/6-31G**

States and conformations

All results from a given calculation for SiH₃F (monofluorosilane)