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	hartrees
Energy at 0K	-391.197010
Energy at 298.15K
HF Energy	-391.197010
Nuclear repulsion energy	62.190411

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	2266	2182	39.32	240.17	0.04	0.08
2	A₁	994	956	236.83	10.24	0.65	0.79
3	A₁	842	811	80.97	6.63	0.41	0.58
4	E	2277	2192	166.74	64.61	0.75	0.86
4	E	2277	2192	166.76	64.61	0.75	0.86
5	E	968	932	91.87	15.93	0.75	0.86
5	E	968	932	91.87	15.93	0.75	0.86
6	E	718	691	52.35	15.77	0.75	0.86
6	E	718	691	52.35	15.77	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
Si1	0.000	0.000	0.512
F2	0.000	0.000	-1.120
H3	0.000	1.408	0.972
H4	-1.219	-0.704	0.972
H5	1.219	-0.704	0.972

	Si1	F2	H3	H4	H5
Si1		1.6317	1.4807	1.4807	1.4807
F2	1.6317		2.5211	2.5211	2.5211
H3	1.4807	2.5211		2.4379	2.4379
H4	1.4807	2.5211	2.4379		2.4379
H5	1.4807	2.5211	2.4379	2.4379

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F2	Si1	H3	108.093	F2	Si1	H4	108.093
F2	Si1	H5	108.093	H3	Si1	H4	110.814
H3	Si1	H5	110.814	H4	Si1	H5	110.814

All results from a given calculation for SiH₃F (monofluorosilane)

using model chemistry: B3LYPultrafine/6-31+G**

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	0.680
2	F	-0.383
3	H	-0.099
4	H	-0.099
5	H	-0.099

	x	y	z	Total
	0.000	0.000	1.704	1.704
CHELPG
AIM
ESP

<r²>	36.442
(<r²>)^1/2	6.037

All results from a given calculation for SiH3F (monofluorosilane)

using model chemistry: B3LYPultrafine/6-31+G**

States and conformations

All results from a given calculation for SiH₃F (monofluorosilane)