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	hartrees
Energy at 0K	-589.359551
Energy at 298.15K
HF Energy	-589.359551
Nuclear repulsion energy	181.216959

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	2269	2256	57.58	94.03	0.18	0.30
2	A₁	791	786	62.54	6.23	0.00	0.00
3	A₁	374	372	58.43	1.33	0.70	0.82
4	E	951	946	188.45	0.48	0.75	0.86
4	E	951	946	188.44	0.48	0.75	0.86
5	E	768	763	17.55	10.36	0.75	0.86
5	E	768	763	17.55	10.36	0.75	0.86
6	E	266	264	11.03	0.85	0.75	0.86
6	E	266	264	11.03	0.85	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
Si1	0.000	0.000	0.339
H2	0.000	0.000	1.824
F3	0.000	1.530	-0.243
F4	1.325	-0.765	-0.243
F5	-1.325	-0.765	-0.243

	Si1	H2	F3	F4	F5
Si1		1.4852	1.6374	1.6374	1.6374
H2	1.4852		2.5725	2.5725	2.5725
F3	1.6374	2.5725		2.6505	2.6505
F4	1.6374	2.5725	2.6505		2.6505
F5	1.6374	2.5725	2.6505	2.6505

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	Si1	F3	110.841	H2	Si1	F4	110.841
H2	Si1	F5	110.841	F3	Si1	F4	108.067
F3	Si1	F5	108.067	F4	Si1	F5	108.067

All results from a given calculation for SiHF₃ (trifluorosilane)

using model chemistry: PBEPBEultrafine/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	0.821
2	H	-0.056
3	F	-0.255
4	F	-0.255
5	F	-0.255

	x	y	z	Total
	0.000	0.000	1.493	1.493
CHELPG
AIM
ESP

<r²>	87.279
(<r²>)^1/2	9.342

All results from a given calculation for SiHF3 (trifluorosilane)

using model chemistry: PBEPBEultrafine/cc-pVDZ

States and conformations

All results from a given calculation for SiHF₃ (trifluorosilane)