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	hartrees
Energy at 0K	-589.817846
Energy at 298.15K
HF Energy	-589.817846
Nuclear repulsion energy	186.660034

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	2307	2307	64.81	105.87	0.10	0.18
2	A₁	807	807	74.70	8.92	0.00	0.00
3	A₁	404	404	58.89	0.64	0.49	0.66
4	E	947	947	249.43	0.64	0.75	0.86
4	E	947	947	249.45	0.63	0.75	0.86
5	E	819	819	10.86	4.47	0.75	0.86
5	E	819	819	10.86	4.46	0.75	0.86
6	E	290	290	10.56	0.43	0.75	0.86
6	E	290	290	10.56	0.43	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
Si1	0.000	0.000	0.322
H2	0.000	0.000	1.785
F3	0.000	1.487	-0.233
F4	1.288	-0.744	-0.233
F5	-1.288	-0.744	-0.233

	Si1	H2	F3	F4	F5
Si1		1.4633	1.5877	1.5877	1.5877
H2	1.4633		2.5075	2.5075	2.5075
F3	1.5877	2.5075		2.5763	2.5763
F4	1.5877	2.5075	2.5763		2.5763
F5	1.5877	2.5075	2.5763	2.5763

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	Si1	F3	110.476	H2	Si1	F4	110.476
H2	Si1	F5	110.476	F3	Si1	F4	108.449
F3	Si1	F5	108.449	F4	Si1	F5	108.449

All results from a given calculation for SiHF₃ (trifluorosilane)

using model chemistry: B97D3/aug-cc-pV(T+d)Z

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	1.894
2	H	-0.061
3	F	-0.611
4	F	-0.611
5	F	-0.611

	x	y	z	Total
	0.000	0.000	1.279	1.279
CHELPG
AIM
ESP

<r²>	83.528
(<r²>)^1/2	9.139

All results from a given calculation for SiHF3 (trifluorosilane)

using model chemistry: B97D3/aug-cc-pV(T+d)Z

States and conformations

All results from a given calculation for SiHF₃ (trifluorosilane)