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	hartrees
Energy at 0K	-589.720380
Energy at 298.15K
HF Energy	-589.720380
Nuclear repulsion energy	187.006344

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	2413	2288	92.84	77.63	0.18	0.30
2	A₁	863	818	74.65	5.02	0.00	0.00
3	A₁	417	395	68.34	0.85	0.72	0.84
4	E	1037	983	248.51	0.49	0.75	0.86
4	E	1037	983	248.52	0.49	0.75	0.86
5	E	859	815	22.14	9.92	0.75	0.86
5	E	859	815	22.14	9.92	0.75	0.86
6	E	297	282	12.14	0.58	0.75	0.86
6	E	297	282	12.14	0.58	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
Si1	0.000	0.000	0.325
H2	0.000	0.000	1.789
F3	0.000	1.483	-0.235
F4	1.284	-0.741	-0.235
F5	-1.284	-0.741	-0.235

	Si1	H2	F3	F4	F5
Si1		1.4642	1.5852	1.5852	1.5852
H2	1.4642		2.5094	2.5094	2.5094
F3	1.5852	2.5094		2.5684	2.5684
F4	1.5852	2.5094	2.5684		2.5684
F5	1.5852	2.5094	2.5684	2.5684

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	Si1	F3	110.695	H2	Si1	F4	110.695
H2	Si1	F5	110.695	F3	Si1	F4	108.221
F3	Si1	F5	108.221	F4	Si1	F5	108.221

All results from a given calculation for SiHF₃ (trifluorosilane)

using model chemistry: mPW1PW91/6-31G*

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	1.193
2	H	-0.093
3	F	-0.366
4	F	-0.366
5	F	-0.366

	x	y	z	Total
	0.000	0.000	1.358	1.358
CHELPG
AIM
ESP

<r²>	82.758
(<r²>)^1/2	9.097

All results from a given calculation for SiHF3 (trifluorosilane)

using model chemistry: mPW1PW91/6-31G*

States and conformations

All results from a given calculation for SiHF₃ (trifluorosilane)