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	hartrees
Energy at 0K	-589.860914
Energy at 298.15K
HF Energy	-589.860914
Nuclear repulsion energy	187.156436

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	2394	2299	66.85	88.17	0.16	0.27
2	A₁	850	816	91.46	4.24	0.00	0.00
3	A₁	410	394	77.71	1.07	0.73	0.84
4	E	1005	965	274.11	0.42	0.75	0.86
4	E	1005	965	274.15	0.41	0.75	0.86
5	E	840	806	21.67	11.04	0.75	0.86
5	E	840	806	21.68	11.03	0.75	0.86
6	E	296	284	14.01	0.84	0.75	0.86
6	E	296	284	14.02	0.84	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
Si1	0.000	0.000	0.331
H2	0.000	0.000	1.786
F3	0.000	1.480	-0.238
F4	1.281	-0.740	-0.238
F5	-1.281	-0.740	-0.238

	Si1	H2	F3	F4	F5
Si1		1.4554	1.5851	1.5851	1.5851
H2	1.4554		2.5070	2.5070	2.5070
F3	1.5851	2.5070		2.5629	2.5629
F4	1.5851	2.5070	2.5629		2.5629
F5	1.5851	2.5070	2.5629	2.5629

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	Si1	F3	111.012	H2	Si1	F4	111.012
H2	Si1	F5	111.012	F3	Si1	F4	107.888
F3	Si1	F5	107.888	F4	Si1	F5	107.888

All results from a given calculation for SiHF₃ (trifluorosilane)

using model chemistry: B1B95/6-311G**

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	1.330
2	H	-0.155
3	F	-0.392
4	F	-0.392
5	F	-0.392

	x	y	z	Total
	0.000	0.000	1.621	1.621
CHELPG
AIM
ESP

	x	y	z
x	2.589	0.000	0.000
y	0.000	2.590	-0.000
z	0.000	-0.000	2.766

<r²>	82.995
(<r²>)^1/2	9.110

All results from a given calculation for SiHF3 (trifluorosilane)

using model chemistry: B1B95/6-311G**

States and conformations

All results from a given calculation for SiHF₃ (trifluorosilane)