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	hartrees
Energy at 0K	-589.980989
Energy at 298.15K
HF Energy	-589.980989
Nuclear repulsion energy	186.800643

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	2369	2292	56.67	102.37	0.09	0.17
2	A₁	831	804	79.57	8.04	0.00	0.00
3	A₁	408	395	66.34	0.59	0.52	0.68
4	E	971	939	252.40	0.63	0.75	0.86
4	E	971	939	252.34	0.63	0.75	0.86
5	E	833	806	17.91	4.28	0.75	0.86
5	E	833	806	17.91	4.28	0.75	0.86
6	E	291	282	12.02	0.39	0.75	0.86
6	E	291	282	12.02	0.39	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
Si1	0.000	0.000	0.327
H2	0.000	0.000	1.786
F3	0.000	1.484	-0.236
F4	1.285	-0.742	-0.236
F5	-1.285	-0.742	-0.236

	Si1	H2	F3	F4	F5
Si1		1.4583	1.5875	1.5875	1.5875
H2	1.4583		2.5077	2.5077	2.5077
F3	1.5875	2.5077		2.5708	2.5708
F4	1.5875	2.5077	2.5708		2.5708
F5	1.5875	2.5077	2.5708	2.5708

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	Si1	F3	110.774	H2	Si1	F4	110.774
H2	Si1	F5	110.774	F3	Si1	F4	108.138
F3	Si1	F5	108.138	F4	Si1	F5	108.138

All results from a given calculation for SiHF₃ (trifluorosilane)

using model chemistry: B3LYP/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	1.628
2	H	-0.002
3	F	-0.542
4	F	-0.542
5	F	-0.542

	x	y	z	Total
	0.000	0.000	1.467	1.467
CHELPG
AIM
ESP

<r²>	83.503
(<r²>)^1/2	9.138

All results from a given calculation for SiHF3 (trifluorosilane)

using model chemistry: B3LYP/aug-cc-pVTZ

States and conformations

All results from a given calculation for SiHF₃ (trifluorosilane)