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	hartrees
Energy at 0K	-388.193338
Energy at 298.15K
HF Energy	-388.193338
Nuclear repulsion energy	63.378482

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	2448	2210	45.47	160.91	0.04	0.08
2	A₁	1160	1047	377.42	14.90	0.62	0.77
3	A₁	996	899	18.14	4.61	0.55	0.71
4	E	2436	2199	219.69	45.53	0.75	0.86
4	E	2436	2199	219.69	45.53	0.75	0.86
5	E	1037	936	166.71	23.50	0.75	0.86
5	E	1037	936	166.71	23.50	0.75	0.86
6	E	824	743	102.31	9.50	0.75	0.86
6	E	824	743	102.31	9.50	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
Si1	0.000	0.000	0.496
F2	0.000	0.000	-1.097
H3	0.000	1.388	0.975
H4	-1.202	-0.694	0.975
H5	1.202	-0.694	0.975

	Si1	F2	H3	H4	H5
Si1		1.5929	1.4688	1.4688	1.4688
F2	1.5929		2.4943	2.4943	2.4943
H3	1.4688	2.4943		2.4048	2.4048
H4	1.4688	2.4943	2.4048		2.4048
H5	1.4688	2.4943	2.4048	2.4048

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F2	Si1	H3	109.045	F2	Si1	H4	109.045
F2	Si1	H5	109.045	H3	Si1	H4	109.894
H3	Si1	H5	109.894	H4	Si1	H5	109.894

All results from a given calculation for SiH₃F (monofluorosilane)

using model chemistry: HF/3-21G*

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	0.926
2	F	-0.426
3	H	-0.166
4	H	-0.166
5	H	-0.166

	x	y	z	Total
	0.000	0.000	1.385	1.385
CHELPG	0.000	-0.001	1.396	1.396
AIM
ESP

<r²>	35.548
(<r²>)^1/2	5.962

All results from a given calculation for SiH3F (monofluorosilane)

using model chemistry: HF/3-21G*

States and conformations

All results from a given calculation for SiH₃F (monofluorosilane)