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	hartrees
Energy at 0K	-589.554221
Energy at 298.15K
HF Energy	-589.554221
Nuclear repulsion energy	178.668360

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	2339	2339	75.46	112.44	0.20	0.34
2	A₁	769	769	67.09	8.28	0.00	0.00
3	A₁	364	364	90.53	2.07	0.74	0.85
4	E	941	941	208.03	1.09	0.75	0.86
4	E	941	941	208.05	1.09	0.75	0.86
5	E	802	802	16.59	16.94	0.75	0.86
5	E	802	802	16.59	16.93	0.75	0.86
6	E	254	254	18.26	1.36	0.75	0.86
6	E	254	254	18.26	1.36	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
Si1	0.000	0.000	0.357
H2	0.000	0.000	1.830
F3	0.000	1.548	-0.253
F4	1.341	-0.774	-0.253
F5	-1.341	-0.774	-0.253

	Si1	H2	F3	F4	F5
Si1		1.4728	1.6644	1.6644	1.6644
H2	1.4728		2.5957	2.5957	2.5957
F3	1.6644	2.5957		2.6818	2.6818
F4	1.6644	2.5957	2.6818		2.6818
F5	1.6644	2.5957	2.6818	2.6818

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	Si1	F3	111.522	H2	Si1	F4	111.522
H2	Si1	F5	111.522	F3	Si1	F4	107.345
F3	Si1	F5	107.345	F4	Si1	F5	107.345

All results from a given calculation for SiHF₃ (trifluorosilane)

using model chemistry: wB97X-D/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	1.473
2	H	-0.113
3	F	-0.453
4	F	-0.453
5	F	-0.453

	x	y	z	Total
	0.000	0.000	2.677	2.677
CHELPG
AIM
ESP

<r²>	90.118
(<r²>)^1/2	9.493

All results from a given calculation for SiHF3 (trifluorosilane)

using model chemistry: wB97X-D/6-31G

States and conformations

All results from a given calculation for SiHF₃ (trifluorosilane)