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	hartrees
Energy at 0K	-589.868034
Energy at 298.15K
HF Energy	-589.868034
Nuclear repulsion energy	188.845647

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	2423	2423	56.10	93.10	0.08	0.15
2	A₁	867	867	84.89	6.20	0.00	0.00
3	A₁	421	421	72.95	0.49	0.55	0.71
4	E	1008	1008	259.30	0.50	0.75	0.86
4	E	1008	1008	259.24	0.51	0.75	0.86
5	E	856	856	22.86	3.37	0.75	0.86
5	E	856	856	22.96	3.36	0.75	0.86
6	E	301	301	13.06	0.33	0.75	0.86
6	E	301	301	13.07	0.32	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
Si1	0.000	0.000	0.325
H2	0.000	0.000	1.776
F3	0.000	1.467	-0.235
F4	1.270	-0.733	-0.235
F5	-1.270	-0.733	-0.235

	Si1	H2	F3	F4	F5
Si1		1.4507	1.5702	1.5702	1.5702
H2	1.4507		2.4889	2.4889	2.4889
F3	1.5702	2.4889		2.5409	2.5409
F4	1.5702	2.4889	2.5409		2.5409
F5	1.5702	2.4889	2.5409	2.5409

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	Si1	F3	110.893	H2	Si1	F4	110.893
H2	Si1	F5	110.893	F3	Si1	F4	108.013
F3	Si1	F5	108.013	F4	Si1	F5	108.013

All results from a given calculation for SiHF₃ (trifluorosilane)

using model chemistry: M06-2X/aug-cc-pCVTZ

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	1.954
2	H	-0.034
3	F	-0.640
4	F	-0.640
5	F	-0.640

	x	y	z	Total
	0.000	0.000	1.491	1.491
CHELPG
AIM
ESP

<r²>	81.900
(<r²>)^1/2	9.050

All results from a given calculation for SiHF3 (trifluorosilane)

using model chemistry: M06-2X/aug-cc-pCVTZ

States and conformations

All results from a given calculation for SiHF₃ (trifluorosilane)