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	hartrees
Energy at 0K	-589.533752
Energy at 298.15K
HF Energy	-589.295216
Nuclear repulsion energy	183.509722

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	2390	2390	44.67	125.53	0.11	0.20
2	A₁	808	808	78.42	9.92	0.00	0.01
3	A₁	386	386	65.14	0.65	0.43	0.60
4	E	945	945	248.00	0.74	0.75	0.86
4	E	945	945	247.98	0.74	0.75	0.86
5	E	816	816	17.06	4.72	0.75	0.86
5	E	816	816	17.07	4.67	0.75	0.86
6	E	271	271	12.51	0.47	0.75	0.86
6	E	271	271	12.51	0.46	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
Si1	0.000	0.000	0.340
H2	0.000	0.000	1.801
F3	0.000	1.509	-0.243
F4	1.307	-0.755	-0.243
F5	-1.307	-0.755	-0.243

	Si1	H2	F3	F4	F5
Si1		1.4619	1.6179	1.6179	1.6179
H2	1.4619		2.5411	2.5411	2.5411
F3	1.6179	2.5411		2.6145	2.6145
F4	1.6179	2.5411	2.6145		2.6145
F5	1.6179	2.5411	2.6145	2.6145

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	Si1	F3	111.097	H2	Si1	F4	111.097
H2	Si1	F5	111.097	F3	Si1	F4	107.798
F3	Si1	F5	107.798	F4	Si1	F5	107.798

All results from a given calculation for SiHF₃ (trifluorosilane)

using model chemistry: B2PLYP=FULLultrafine/daug-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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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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Number	Element	Mulliken
1	Si	1.481
2	H	0.326
3	F	-0.602
4	F	-0.602
5	F	-0.602

<r²>	86.046
(<r²>)^1/2	9.276

All results from a given calculation for SiHF3 (trifluorosilane)

using model chemistry: B2PLYP=FULLultrafine/daug-cc-pVDZ

States and conformations

All results from a given calculation for SiHF₃ (trifluorosilane)