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	hartrees
Energy at 0K	-390.989596
Energy at 298.15K
HF Energy	-390.989596
Nuclear repulsion energy	62.569697

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	2260	2168	30.39	245.35	0.04	0.08
2	A₁	1014	973	242.62	16.39	0.66	0.80
3	A₁	868	833	52.28	5.65	0.53	0.69
4	E	2266	2174	142.44	70.83	0.75	0.86
4	E	2266	2174	142.47	70.83	0.75	0.86
5	E	949	910	98.59	25.15	0.75	0.86
5	E	949	910	98.60	25.16	0.75	0.86
6	E	730	700	64.00	15.98	0.75	0.86
6	E	730	700	64.00	15.98	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
Si1	0.000	0.000	0.504
F2	0.000	0.000	-1.111
H3	0.000	1.406	0.979
H4	-1.218	-0.703	0.979
H5	1.218	-0.703	0.979

	Si1	F2	H3	H4	H5
Si1		1.6156	1.4840	1.4840	1.4840
F2	1.6156		2.5193	2.5193	2.5193
H3	1.4840	2.5193		2.4352	2.4352
H4	1.4840	2.5193	2.4352		2.4352
H5	1.4840	2.5193	2.4352	2.4352

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F2	Si1	H3	108.661	F2	Si1	H4	108.661
F2	Si1	H5	108.661	H3	Si1	H4	110.269
H3	Si1	H5	110.269	H4	Si1	H5	110.269

All results from a given calculation for SiH₃F (monofluorosilane)

using model chemistry: PBE1PBE/6-311G**

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	0.835
2	F	-0.431
3	H	-0.134
4	H	-0.134
5	H	-0.134

	x	y	z	Total
	0.000	0.000	1.554	1.554
CHELPG
AIM
ESP

<r²>	36.040
(<r²>)^1/2	6.003

All results from a given calculation for SiH3F (monofluorosilane)

using model chemistry: PBE1PBE/6-311G**

States and conformations

All results from a given calculation for SiH₃F (monofluorosilane)