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	hartrees
Energy at 0K	-589.520799
Energy at 298.15K
HF Energy	-589.520799
Nuclear repulsion energy	185.178093

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	2292	2267	51.83	110.37	0.10	0.18
2	A₁	800	791	71.58	10.15	0.00	0.00
3	A₁	392	387	57.74	0.73	0.51	0.67
4	E	938	928	229.15	0.88	0.75	0.86
4	E	938	928	229.15	0.87	0.75	0.86
5	E	793	784	15.86	4.74	0.75	0.86
5	E	793	784	15.87	4.73	0.75	0.86
6	E	279	276	10.54	0.49	0.75	0.86
6	E	279	276	10.54	0.49	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
Si1	0.000	0.000	0.328
H2	0.000	0.000	1.802
F3	0.000	1.498	-0.237
F4	1.297	-0.749	-0.237
F5	-1.297	-0.749	-0.237

	Si1	H2	F3	F4	F5
Si1		1.4733	1.6010	1.6010	1.6010
H2	1.4733		2.5298	2.5298	2.5298
F3	1.6010	2.5298		2.5944	2.5944
F4	1.6010	2.5298	2.5944		2.5944
F5	1.6010	2.5298	2.5944	2.5944

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	Si1	F3	110.677	H2	Si1	F4	110.677
H2	Si1	F5	110.677	F3	Si1	F4	108.239
F3	Si1	F5	108.239	F4	Si1	F5	108.239

All results from a given calculation for SiHF₃ (trifluorosilane)

using model chemistry: PBEPBEultrafine/aug-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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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	1.503
2	H	0.022
3	F	-0.508
4	F	-0.508
5	F	-0.508

	x	y	z	Total
	0.000	0.000	1.399	1.399
CHELPG
AIM
ESP

<r²>	84.706
(<r²>)^1/2	9.204

All results from a given calculation for SiHF3 (trifluorosilane)

using model chemistry: PBEPBEultrafine/aug-cc-pVTZ

States and conformations

All results from a given calculation for SiHF₃ (trifluorosilane)