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	hartrees
Energy at 0K	-581.830972
Energy at 298.15K
HF Energy	-581.830972
Nuclear repulsion energy	179.984704

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	2432	2250	83.55	65.23	0.31	0.47
2	A₁	756	700	18.56	5.75	0.00	0.00
3	A₁	333	308	30.79	1.70	0.75	0.86
4	E	966	894	143.10	0.92	0.75	0.86
4	E	966	894	143.10	0.92	0.75	0.86
5	E	794	735	20.33	9.86	0.75	0.86
5	E	794	735	20.33	9.86	0.75	0.86
6	E	250	231	5.31	1.30	0.75	0.86
6	E	250	231	5.31	1.30	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
Si1	0.000	0.000	0.347
H2	0.000	0.000	1.820
F3	0.000	1.540	-0.247
F4	1.333	-0.770	-0.247
F5	-1.333	-0.770	-0.247

	Si1	H2	F3	F4	F5
Si1		1.4729	1.6505	1.6505	1.6505
H2	1.4729		2.5776	2.5776	2.5776
F3	1.6505	2.5776		2.6669	2.6669
F4	1.6505	2.5776	2.6669		2.6670
F5	1.6505	2.5776	2.6669	2.6670

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	Si1	F3	111.104	H2	Si1	F4	111.104
H2	Si1	F5	111.104	F3	Si1	F4	107.790
F3	Si1	F5	107.790	F4	Si1	F5	107.790

All results from a given calculation for SiHF₃ (trifluorosilane)

using model chemistry: BLYP/STO-3G

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	0.799
2	H	-0.147
3	F	-0.217
4	F	-0.217
5	F	-0.217

	x	y	z	Total
	0.000	0.000	0.577	0.577
CHELPG
AIM
ESP

<r²>	86.050
(<r²>)^1/2	9.276

All results from a given calculation for SiHF3 (trifluorosilane)

using model chemistry: BLYP/STO-3G

States and conformations

All results from a given calculation for SiHF₃ (trifluorosilane)