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	hartrees
Energy at 0K	-589.803457
Energy at 298.15K
HF Energy	-589.803457
Nuclear repulsion energy	186.492280

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	2374	2281	85.26	77.82	0.17	0.30
2	A₁	854	820	72.70	5.27	0.00	0.00
3	A₁	415	399	66.30	0.89	0.71	0.83
4	E	1027	987	242.65	0.49	0.75	0.86
4	E	1027	987	242.65	0.49	0.75	0.86
5	E	856	823	19.01	9.42	0.75	0.86
5	E	856	823	19.01	9.42	0.75	0.86
6	E	297	285	11.82	0.59	0.75	0.86
6	E	297	285	11.82	0.59	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
Si1	0.000	0.000	0.326
H2	0.000	0.000	1.790
F3	0.000	1.487	-0.236
F4	1.288	-0.744	-0.236
F5	-1.288	-0.744	-0.236

	Si1	H2	F3	F4	F5
Si1		1.4642	1.5897	1.5897	1.5897
H2	1.4642		2.5132	2.5132	2.5132
F3	1.5897	2.5132		2.5758	2.5758
F4	1.5897	2.5132	2.5758		2.5758
F5	1.5897	2.5132	2.5758	2.5758

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	Si1	F3	110.695	H2	Si1	F4	110.695
H2	Si1	F5	110.695	F3	Si1	F4	108.221
F3	Si1	F5	108.221	F4	Si1	F5	108.221

All results from a given calculation for SiHF₃ (trifluorosilane)

using model chemistry: B3LYP/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	1.187
2	H	-0.115
3	F	-0.358
4	F	-0.358
5	F	-0.358

	x	y	z	Total
	0.000	0.000	1.352	1.352
CHELPG
AIM
ESP

<r²>	83.187
(<r²>)^1/2	9.121

All results from a given calculation for SiHF3 (trifluorosilane)

using model chemistry: B3LYP/6-31G**

States and conformations

All results from a given calculation for SiHF₃ (trifluorosilane)