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	hartrees
Energy at 0K	-589.378995
Energy at 298.15K
HF Energy	-589.378995
Nuclear repulsion energy	186.961982

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	2406	2286	91.76	77.67	0.18	0.30
2	A₁	863	820	74.20	5.07	0.00	0.00
3	A₁	416	395	67.87	0.85	0.72	0.84
4	E	1037	985	245.30	0.48	0.75	0.86
4	E	1037	985	245.30	0.48	0.75	0.86
5	E	855	813	22.89	9.95	0.75	0.86
5	E	855	813	22.89	9.95	0.75	0.86
6	E	296	282	12.03	0.57	0.75	0.86
6	E	296	282	12.03	0.57	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
Si1	0.000	0.000	0.325
H2	0.000	0.000	1.792
F3	0.000	1.483	-0.235
F4	1.284	-0.742	-0.235
F5	-1.284	-0.742	-0.235

	Si1	H2	F3	F4	F5
Si1		1.4668	1.5855	1.5855	1.5855
H2	1.4668		2.5119	2.5119	2.5119
F3	1.5855	2.5119		2.5687	2.5687
F4	1.5855	2.5119	2.5687		2.5687
F5	1.5855	2.5119	2.5687	2.5687

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	Si1	F3	110.706	H2	Si1	F4	110.706
H2	Si1	F5	110.706	F3	Si1	F4	108.208
F3	Si1	F5	108.208	F4	Si1	F5	108.208

All results from a given calculation for SiHF₃ (trifluorosilane)

using model chemistry: PBE1PBE/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	1.182
2	H	-0.091
3	F	-0.364
4	F	-0.364
5	F	-0.364

	x	y	z	Total
	0.000	0.000	1.349	1.349
CHELPG
AIM
ESP

<r²>	82.801
(<r²>)^1/2	9.100

All results from a given calculation for SiHF3 (trifluorosilane)

using model chemistry: PBE1PBE/6-31G*

States and conformations

All results from a given calculation for SiHF₃ (trifluorosilane)