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	hartrees
Energy at 0K	-589.445787
Energy at 298.15K
HF Energy	-589.445787
Nuclear repulsion energy	185.949074

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	2395	2286	67.75	99.07	0.12	0.22
2	A₁	834	796	87.61	6.70	0.00	0.00
3	A₁	406	387	71.60	0.89	0.68	0.81
4	E	981	937	281.36	0.62	0.75	0.86
4	E	981	937	281.36	0.62	0.75	0.86
5	E	826	789	19.78	8.03	0.75	0.86
5	E	826	789	19.78	8.03	0.75	0.86
6	E	288	275	14.02	0.67	0.75	0.86
6	E	288	275	14.02	0.67	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
Si1	0.000	0.000	0.329
H2	0.000	0.000	1.791
F3	0.000	1.491	-0.237
F4	1.291	-0.745	-0.237
F5	-1.291	-0.745	-0.237

	Si1	H2	F3	F4	F5
Si1		1.4619	1.5950	1.5950	1.5950
H2	1.4619		2.5176	2.5176	2.5176
F3	1.5950	2.5176		2.5824	2.5824
F4	1.5950	2.5176	2.5824		2.5824
F5	1.5950	2.5176	2.5824	2.5824

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	Si1	F3	110.811	H2	Si1	F4	110.811
H2	Si1	F5	110.811	F3	Si1	F4	108.099
F3	Si1	F5	108.099	F4	Si1	F5	108.099

All results from a given calculation for SiHF₃ (trifluorosilane)

using model chemistry: HSEh1PBE/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	0.978
2	H	-0.083
3	F	-0.298
4	F	-0.298
5	F	-0.298

	x	y	z	Total
	0.000	0.000	1.625	1.625
CHELPG
AIM
ESP

	x	y	z
x	3.197	0.000	0.000
y	0.000	3.197	-0.000
z	0.000	-0.000	3.257

<r²>	84.088
(<r²>)^1/2	9.170

All results from a given calculation for SiHF3 (trifluorosilane)

using model chemistry: HSEh1PBE/6-31+G**

States and conformations

All results from a given calculation for SiHF₃ (trifluorosilane)