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	hartrees
Energy at 0K	-589.811672
Energy at 298.15K
HF Energy	-589.811672
Nuclear repulsion energy	187.157756

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	2362	2362	56.18	100.21	0.09	0.17
2	A₁	835	835	78.58	8.24	0.00	0.00
3	A₁	409	409	65.40	0.55	0.53	0.69
4	E	977	977	246.06	0.65	0.75	0.86
4	E	977	977	246.08	0.65	0.75	0.86
5	E	830	830	19.07	4.10	0.75	0.86
5	E	830	830	19.08	4.10	0.75	0.86
6	E	291	291	11.68	0.37	0.75	0.86
6	E	291	291	11.68	0.37	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
Si1	0.000	0.000	0.326
H2	0.000	0.000	1.788
F3	0.000	1.482	-0.235
F4	1.283	-0.741	-0.235
F5	-1.283	-0.741	-0.235

	Si1	H2	F3	F4	F5
Si1		1.4620	1.5840	1.5840	1.5840
H2	1.4620		2.5071	2.5071	2.5071
F3	1.5840	2.5071		2.5661	2.5661
F4	1.5840	2.5071	2.5661		2.5661
F5	1.5840	2.5071	2.5661	2.5661

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	Si1	F3	110.724	H2	Si1	F4	110.724
H2	Si1	F5	110.724	F3	Si1	F4	108.190
F3	Si1	F5	108.190	F4	Si1	F5	108.190

All results from a given calculation for SiHF₃ (trifluorosilane)

using model chemistry: B3PW91/daug-cc-pVTZ

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	2.107
2	H	0.409
3	F	-0.839
4	F	-0.839
5	F	-0.839

	x	y	z	Total
	0.000	0.000	1.410	1.410
CHELPG
AIM
ESP

<r²>	83.075
(<r²>)^1/2	9.115

All results from a given calculation for SiHF3 (trifluorosilane)

using model chemistry: B3PW91/daug-cc-pVTZ

States and conformations

All results from a given calculation for SiHF₃ (trifluorosilane)