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	hartrees
Energy at 0K	-581.936408
Energy at 298.15K
HF Energy	-581.936408
Nuclear repulsion energy	182.051743

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	2565	2289	59.15	58.80	0.31	0.47
2	A₁	787	702	22.03	5.21	0.00	0.00
3	A₁	355	317	39.93	1.54	0.75	0.86
4	E	1007	898	155.71	1.09	0.75	0.86
4	E	1007	898	155.70	1.09	0.75	0.86
5	E	844	753	22.06	9.74	0.75	0.86
5	E	844	753	22.06	9.74	0.75	0.86
6	E	268	239	7.33	1.26	0.75	0.86
6	E	268	239	7.33	1.26	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
Si1	0.000	0.000	0.344
H2	0.000	0.000	1.800
F3	0.000	1.522	-0.245
F4	1.318	-0.761	-0.245
F5	-1.318	-0.761	-0.245

	Si1	H2	F3	F4	F5
Si1		1.4556	1.6320	1.6320	1.6320
H2	1.4556		2.5492	2.5492	2.5492
F3	1.6320	2.5492		2.6357	2.6357
F4	1.6320	2.5492	2.6357		2.6357
F5	1.6320	2.5492	2.6357	2.6357

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	Si1	F3	111.180	H2	Si1	F4	111.180
H2	Si1	F5	111.180	F3	Si1	F4	107.710
F3	Si1	F5	107.710	F4	Si1	F5	107.710

All results from a given calculation for SiHF₃ (trifluorosilane)

using model chemistry: B3LYP/STO-3G

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	0.895
2	H	-0.147
3	F	-0.249
4	F	-0.249
5	F	-0.249

	x	y	z	Total
	0.000	0.000	0.782	0.782
CHELPG
AIM
ESP

<r²>	84.525
(<r²>)^1/2	9.194

All results from a given calculation for SiHF3 (trifluorosilane)

using model chemistry: B3LYP/STO-3G

States and conformations

All results from a given calculation for SiHF₃ (trifluorosilane)