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	hartrees
Energy at 0K	-388.838539
Energy at 298.15K
HF Energy	-388.776891
Nuclear repulsion energy	61.385567

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	2252	2252	48.52	190.55	0.03	0.06
2	A₁	1083	1083	258.33	23.54	0.63	0.77
3	A₁	883	883	11.86	7.57	0.37	0.54
4	E	2251	2251	179.70	59.00	0.75	0.86
4	E	2251	2251	179.70	59.01	0.75	0.86
5	E	910	910	99.99	40.12	0.75	0.86
5	E	910	910	100.00	40.12	0.75	0.86
6	E	769	769	91.37	12.08	0.75	0.86
6	E	769	769	91.38	12.08	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
Si1	0.000	0.000	0.515
F2	0.000	0.000	-1.141
H3	0.000	1.402	1.018
H4	-1.214	-0.701	1.018
H5	1.214	-0.701	1.018

	Si1	F2	H3	H4	H5
Si1		1.6559	1.4899	1.4899	1.4899
F2	1.6559		2.5747	2.5747	2.5747
H3	1.4899	2.5747		2.4289	2.4289
H4	1.4899	2.5747	2.4289		2.4289
H5	1.4899	2.5747	2.4289	2.4289

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F2	Si1	H3	109.745	F2	Si1	H4	109.745
F2	Si1	H5	109.745	H3	Si1	H4	109.196
H3	Si1	H5	109.196	H4	Si1	H5	109.196

All results from a given calculation for SiH₃F (monofluorosilane)

using model chemistry: B2PLYP=FULLultrafine/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	0.934
2	F	-0.404
3	H	-0.177
4	H	-0.177
5	H	-0.177

	x	y	z	Total
	0.000	0.000	1.481	1.481
CHELPG
AIM
ESP

<r²>	37.410
(<r²>)^1/2	6.116

All results from a given calculation for SiH3F (monofluorosilane)

using model chemistry: B2PLYP=FULLultrafine/3-21G

States and conformations

All results from a given calculation for SiH₃F (monofluorosilane)