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	hartrees
Energy at 0K	-391.106784
Energy at 298.15K
HF Energy	-391.106784
Nuclear repulsion energy	62.241781

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	2211	2167	46.27	187.27	0.04	0.07
2	A₁	1020	1000	237.58	15.77	0.62	0.77
3	A₁	856	840	31.98	6.93	0.41	0.58
4	E	2218	2175	207.71	60.15	0.75	0.86
4	E	2218	2175	207.78	60.14	0.75	0.86
5	E	933	915	95.43	23.28	0.75	0.86
5	E	933	915	95.46	23.29	0.75	0.86
6	E	728	713	54.70	11.03	0.75	0.86
6	E	728	713	54.71	11.04	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
Si1	0.000	0.000	0.505
F2	0.000	0.000	-1.118
H3	0.000	1.408	0.999
H4	-1.220	-0.704	0.999
H5	1.220	-0.704	0.999

	Si1	F2	H3	H4	H5
Si1		1.6230	1.4925	1.4925	1.4925
F2	1.6230		2.5431	2.5431	2.5431
H3	1.4925	2.5431		2.4391	2.4391
H4	1.4925	2.5431	2.4391		2.4391
H5	1.4925	2.5431	2.4391	2.4391

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F2	Si1	H3	109.349	F2	Si1	H4	109.349
F2	Si1	H5	109.349	H3	Si1	H4	109.593
H3	Si1	H5	109.593	H4	Si1	H5	109.593

All results from a given calculation for SiH₃F (monofluorosilane)

using model chemistry: B97D3/6-31G*

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	0.628
2	F	-0.375
3	H	-0.084
4	H	-0.084
5	H	-0.084

	x	y	z	Total
	0.000	0.000	1.193	1.193
CHELPG
AIM
ESP

<r²>	36.130
(<r²>)^1/2	6.011

All results from a given calculation for SiH3F (monofluorosilane)

using model chemistry: B97D3/6-31G*

States and conformations

All results from a given calculation for SiH₃F (monofluorosilane)