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	hartrees
Energy at 0K	-589.461794
Energy at 298.15K
HF Energy	-589.461794
Nuclear repulsion energy	184.702198

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	2301	2280	65.06	97.08	0.16	0.28
2	A₁	806	798	78.92	5.87	0.00	0.00
3	A₁	392	388	64.44	1.33	0.71	0.83
4	E	962	953	241.86	0.58	0.75	0.86
4	E	962	953	241.85	0.58	0.75	0.86
5	E	803	796	13.43	12.56	0.75	0.86
5	E	803	796	13.43	12.56	0.75	0.86
6	E	283	281	11.82	1.01	0.75	0.86
6	E	283	281	11.82	1.01	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
Si1	0.000	0.000	0.333
H2	0.000	0.000	1.806
F3	0.000	1.500	-0.239
F4	1.299	-0.750	-0.239
F5	-1.299	-0.750	-0.239

	Si1	H2	F3	F4	F5
Si1		1.4727	1.6059	1.6059	1.6059
H2	1.4727		2.5364	2.5364	2.5364
F3	1.6059	2.5364		2.5988	2.5988
F4	1.6059	2.5364	2.5988		2.5988
F5	1.6059	2.5364	2.5988	2.5988

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	Si1	F3	110.880	H2	Si1	F4	110.880
H2	Si1	F5	110.880	F3	Si1	F4	108.026
F3	Si1	F5	108.026	F4	Si1	F5	108.026

All results from a given calculation for SiHF₃ (trifluorosilane)

using model chemistry: PBEPBE/6-311G**

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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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	1.212
2	H	-0.139
3	F	-0.358
4	F	-0.358
5	F	-0.358

	x	y	z	Total
	0.000	0.000	1.537	1.537
CHELPG
AIM
ESP

<r²>	84.891
(<r²>)^1/2	9.214

All results from a given calculation for SiHF3 (trifluorosilane)

using model chemistry: PBEPBE/6-311G**

States and conformations

All results from a given calculation for SiHF₃ (trifluorosilane)