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	hartrees
Energy at 0K	-589.842804
Energy at 298.15K
HF Energy	-589.842804
Nuclear repulsion energy	183.045401

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)	Raman Act (Å⁴/u)	Dep P	Dep U
1	?_a	801	775	15.18	4.77	0.75	0.86
2	?_a	801	775	15.19	4.77	0.75	0.86
3	?_a	799	773	74.77	9.66	0.00	0.01
4	A₁	2368	2291	44.21	106.88	0.10	0.19
4	A₁	377	365	58.82	0.80	0.54	0.70
5	E	938	907	240.29	0.91	0.75	0.86
5	E	938	907	240.26	0.92	0.75	0.86
6	E	264	256	11.27	0.54	0.75	0.86
6	E	264	256	11.27	0.54	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
Si1	0.000	0.000	0.341
H2	0.000	0.000	1.808
F3	0.000	1.513	-0.244
F4	1.310	-0.757	-0.244
F5	-1.310	-0.757	-0.244

	Si1	H2	F3	F4	F5
Si1		1.4672	1.6220	1.6220	1.6220
H2	1.4672		2.5492	2.5492	2.5492
F3	1.6220	2.5492		2.6207	2.6207
F4	1.6220	2.5492	2.6207		2.6207
F5	1.6220	2.5492	2.6207	2.6207

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	Si1	F3	111.119	H2	Si1	F4	111.119
H2	Si1	F5	111.119	F3	Si1	F4	107.774
F3	Si1	F5	107.774	F4	Si1	F5	107.774

All results from a given calculation for SiHF₃ (trifluorosilane)

using model chemistry: TPSSh/aug-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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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	1.502
2	H	0.156
3	F	-0.553
4	F	-0.553
5	F	-0.553

	x	y	z	Total
	0.000	0.000	1.656	1.656
CHELPG
AIM
ESP

<r²>	86.150
(<r²>)^1/2	9.282

All results from a given calculation for SiHF3 (trifluorosilane)

using model chemistry: TPSSh/aug-cc-pVDZ

States and conformations

All results from a given calculation for SiHF₃ (trifluorosilane)