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	hartrees
Energy at 0K	-589.038215
Energy at 298.15K
HF Energy	-588.167422
Nuclear repulsion energy	187.496000

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	2425	2288	63.99	92.57	0.10	0.18
2	A₁	837	789	78.46	6.86	0.00	0.01
3	A₁	417	394	69.38	0.55	0.54	0.70
4	E	983	928	268.27	0.52	0.75	0.86
4	E	983	928	268.27	0.52	0.75	0.86
5	E	849	801	19.11	4.38	0.75	0.86
5	E	849	801	19.11	4.38	0.75	0.86
6	E	300	283	12.22	0.42	0.75	0.86
6	E	300	283	12.22	0.42	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
Si1	0.000	0.000	0.321
H2	0.000	0.000	1.772
F3	0.000	1.481	-0.232
F4	1.283	-0.741	-0.232
F5	-1.283	-0.741	-0.232

	Si1	H2	F3	F4	F5
Si1		1.4506	1.5809	1.5809	1.5809
H2	1.4506		2.4917	2.4917	2.4917
F3	1.5809	2.4917		2.5652	2.5652
F4	1.5809	2.4917	2.5652		2.5652
F5	1.5809	2.4917	2.5652	2.5652

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	Si1	F3	110.478	H2	Si1	F4	110.478
H2	Si1	F5	110.478	F3	Si1	F4	108.445
F3	Si1	F5	108.445	F4	Si1	F5	108.445

All results from a given calculation for SiHF₃ (trifluorosilane)

using model chemistry: MP2/6-311+G(3df,2p)

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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HF vs MP2 Bad vib. Calc. vs exp. 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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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All results from a given calculation for SiHF3 (trifluorosilane)

using model chemistry: MP2/6-311+G(3df,2p)

States and conformations

All results from a given calculation for SiHF₃ (trifluorosilane)