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	hartrees
Energy at 0K	-589.810515
Energy at 298.15K
HF Energy	-589.810515
Nuclear repulsion energy	187.113415

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	2360	2278	56.16	100.83	0.09	0.17
2	A₁	835	806	78.69	7.96	0.00	0.00
3	A₁	409	395	65.58	0.57	0.53	0.69
4	E	977	943	245.66	0.67	0.75	0.86
4	E	977	943	245.68	0.67	0.75	0.86
5	E	829	800	19.37	4.15	0.75	0.86
5	E	829	800	19.37	4.14	0.75	0.86
6	E	291	281	11.73	0.38	0.75	0.86
6	E	291	281	11.74	0.38	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
Si1	0.000	0.000	0.326
H2	0.000	0.000	1.788
F3	0.000	1.482	-0.235
F4	1.283	-0.741	-0.235
F5	-1.283	-0.741	-0.235

	Si1	H2	F3	F4	F5
Si1		1.4623	1.5844	1.5844	1.5844
H2	1.4623		2.5078	2.5078	2.5078
F3	1.5844	2.5078		2.5665	2.5665
F4	1.5844	2.5078	2.5665		2.5665
F5	1.5844	2.5078	2.5665	2.5665

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	Si1	F3	110.737	H2	Si1	F4	110.737
H2	Si1	F5	110.737	F3	Si1	F4	108.177
F3	Si1	F5	108.177	F4	Si1	F5	108.177

All results from a given calculation for SiHF₃ (trifluorosilane)

using model chemistry: B3PW91/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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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	1.608
2	H	0.021
3	F	-0.543
4	F	-0.543
5	F	-0.543

	x	y	z	Total
	0.000	0.000	1.419	1.419
CHELPG
AIM
ESP

<r²>	83.113
(<r²>)^1/2	9.117

All results from a given calculation for SiHF3 (trifluorosilane)

using model chemistry: B3PW91/aug-cc-pVTZ

States and conformations

All results from a given calculation for SiHF₃ (trifluorosilane)