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	hartrees
Energy at 0K	-589.762858
Energy at 298.15K
HF Energy	-589.762858
Nuclear repulsion energy	183.429512

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	2361	2269	56.68	85.95	0.17	0.29
2	A₁	831	799	74.85	4.72	0.00	0.00
3	A₁	389	374	72.72	1.11	0.72	0.83
4	E	991	953	217.68	0.38	0.75	0.86
4	E	991	953	217.64	0.38	0.75	0.86
5	E	802	771	25.35	9.22	0.75	0.86
5	E	802	771	25.35	9.21	0.75	0.86
6	E	276	266	13.60	0.70	0.75	0.86
6	E	276	266	13.60	0.70	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
Si1	0.000	0.000	0.338
H2	0.000	0.000	1.805
F3	0.000	1.511	-0.242
F4	1.308	-0.755	-0.242
F5	-1.308	-0.755	-0.242

	Si1	H2	F3	F4	F5
Si1		1.4668	1.6182	1.6182	1.6182
H2	1.4668		2.5440	2.5440	2.5440
F3	1.6182	2.5440		2.6164	2.6164
F4	1.6182	2.5440	2.6164		2.6164
F5	1.6182	2.5440	2.6164	2.6164

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	Si1	F3	111.009	H2	Si1	F4	111.009
H2	Si1	F5	111.009	F3	Si1	F4	107.890
F3	Si1	F5	107.890	F4	Si1	F5	107.890

All results from a given calculation for SiHF₃ (trifluorosilane)

using model chemistry: B1B95/cc-pVDZ

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	0.968
2	H	-0.074
3	F	-0.298
4	F	-0.298
5	F	-0.298

	x	y	z	Total
	0.000	0.000	1.643	1.643
CHELPG
AIM
ESP

	x	y	z
x	2.738	0.000	0.000
y	0.000	2.739	-0.000
z	0.000	-0.000	2.834

<r²>	85.548
(<r²>)^1/2	9.249

All results from a given calculation for SiHF3 (trifluorosilane)

using model chemistry: B1B95/cc-pVDZ

States and conformations

All results from a given calculation for SiHF₃ (trifluorosilane)