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	hartrees
Energy at 0K	-589.835977
Energy at 298.15K
HF Energy	-589.835977
Nuclear repulsion energy	188.113210

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	2346	2264	65.15	68.55	0.15	0.26
2	A₁	852	823	66.99	5.37	0.00	0.00
3	A₁	418	404	58.94	0.60	0.67	0.80
4	E	1015	979	211.85	0.36	0.75	0.86
4	E	1015	979	211.82	0.36	0.75	0.86
5	E	837	808	22.03	5.65	0.75	0.86
5	E	837	808	22.02	5.65	0.75	0.86
6	E	301	290	10.25	0.38	0.75	0.86
6	E	301	290	10.26	0.38	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
Si1	0.000	0.000	0.321
H2	0.000	0.000	1.782
F3	0.000	1.475	-0.233
F4	1.277	-0.737	-0.233
F5	-1.277	-0.737	-0.233

	Si1	H2	F3	F4	F5
Si1		1.4609	1.5753	1.5753	1.5753
H2	1.4609		2.4970	2.4970	2.4970
F3	1.5753	2.4970		2.5542	2.5542
F4	1.5753	2.4970	2.5542		2.5542
F5	1.5753	2.4970	2.5542	2.5542

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	Si1	F3	110.591	H2	Si1	F4	110.591
H2	Si1	F5	110.591	F3	Si1	F4	108.329
F3	Si1	F5	108.329	F4	Si1	F5	108.329

All results from a given calculation for SiHF₃ (trifluorosilane)

using model chemistry: B3LYP/6-31G(2df,p)

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	0.495
2	H	0.007
3	F	-0.167
4	F	-0.167
5	F	-0.167

	x	y	z	Total
	0.000	0.000	1.138	1.138
CHELPG
AIM
ESP

<r²>	81.966
(<r²>)^1/2	9.054

All results from a given calculation for SiHF3 (trifluorosilane)

using model chemistry: B3LYP/6-31G(2df,p)

States and conformations

All results from a given calculation for SiHF₃ (trifluorosilane)