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	hartrees
Energy at 0K	-589.781979
Energy at 298.15K
HF Energy	-589.781979
Nuclear repulsion energy	184.106553

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	2309	2276	66.36	95.54	0.16	0.27
2	A₁	788	776	83.62	6.55	0.00	0.00
3	A₁	391	385	66.28	1.29	0.68	0.81
4	E	923	910	268.77	0.49	0.75	0.86
4	E	923	910	268.78	0.49	0.75	0.86
5	E	793	782	15.28	9.86	0.75	0.86
5	E	793	782	15.28	9.86	0.75	0.86
6	E	278	274	12.20	1.02	0.75	0.86
6	E	278	274	12.20	1.02	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
Si1	0.000	0.000	0.333
H2	0.000	0.000	1.802
F3	0.000	1.506	-0.239
F4	1.305	-0.753	-0.239
F5	-1.305	-0.753	-0.239

	Si1	H2	F3	F4	F5
Si1		1.4697	1.6112	1.6112	1.6112
H2	1.4697		2.5370	2.5370	2.5370
F3	1.6112	2.5370		2.6091	2.6091
F4	1.6112	2.5370	2.6091		2.6091
F5	1.6112	2.5370	2.6091	2.6091

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	Si1	F3	110.784	H2	Si1	F4	110.784
H2	Si1	F5	110.784	F3	Si1	F4	108.127
F3	Si1	F5	108.127	F4	Si1	F5	108.127

All results from a given calculation for SiHF₃ (trifluorosilane)

using model chemistry: B97D3/TZVP

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	0.943
2	H	-0.089
3	F	-0.285
4	F	-0.285
5	F	-0.285

	x	y	z	Total
	0.000	0.000	1.565	1.565
CHELPG
AIM
ESP

<r²>	85.416
(<r²>)^1/2	9.242

All results from a given calculation for SiHF3 (trifluorosilane)

using model chemistry: B97D3/TZVP

States and conformations

All results from a given calculation for SiHF₃ (trifluorosilane)