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	hartrees
Energy at 0K	-304.166351
Energy at 298.15K
HF Energy	-304.166351
Nuclear repulsion energy	89.650595

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	2353	2262	51.05	108.30	0.17	0.30
2	A₁	747	718	68.96	8.22	0.00	0.00
3	A₁	364	350	90.24	2.38	0.72	0.83
4	E	899	865	234.59	1.27	0.75	0.86
4	E	899	865	234.59	1.27	0.75	0.86
5	E	794	763	7.25	15.11	0.75	0.86
5	E	794	763	7.25	15.12	0.75	0.86
6	E	254	244	18.79	1.66	0.75	0.86
6	E	254	244	18.79	1.66	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
Si1	0.000	0.000	0.356
H2	0.000	0.000	1.818
F3	0.000	1.541	-0.252
F4	1.335	-0.771	-0.252
F5	-1.335	-0.771	-0.252

	Si1	H2	F3	F4	F5
Si1		1.4616	1.6568	1.6568	1.6568
H2	1.4616		2.5806	2.5806	2.5806
F3	1.6568	2.5806		2.6694	2.6694
F4	1.6568	2.5806	2.6694		2.6694
F5	1.6568	2.5806	2.6694	2.6694

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	Si1	F3	111.536	H2	Si1	F4	111.536
H2	Si1	F5	111.536	F3	Si1	F4	107.330
F3	Si1	F5	107.330	F4	Si1	F5	107.330

All results from a given calculation for SiHF₃ (trifluorosilane)

using model chemistry: B3LYP/LANL2DZ

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	1.553
2	H	-0.073
3	F	-0.493
4	F	-0.493
5	F	-0.493

	x	y	z	Total
	0.000	0.000	2.716	2.716
CHELPG
AIM
ESP

<r²>	87.800
(<r²>)^1/2	9.370

All results from a given calculation for SiHF3 (trifluorosilane)

using model chemistry: B3LYP/LANL2DZ

States and conformations

All results from a given calculation for SiHF₃ (trifluorosilane)