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	hartrees
Energy at 0K	-589.996751
Energy at 298.15K
HF Energy	-589.996751
Nuclear repulsion energy	187.653334

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	2367	2367	59.01	101.44	0.09	0.17
2	A₁	834	834	79.86	7.72	0.00	0.00
3	A₁	412	412	65.57	0.56	0.52	0.68
4	E	976	976	256.07	0.58	0.75	0.86
4	E	976	976	256.01	0.58	0.75	0.86
5	E	838	838	15.86	4.15	0.75	0.86
5	E	838	838	15.86	4.15	0.75	0.86
6	E	294	294	11.81	0.38	0.75	0.86
6	E	294	294	11.80	0.38	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
Si1	0.000	0.000	0.324
H2	0.000	0.000	1.780
F3	0.000	1.478	-0.234
F4	1.280	-0.739	-0.234
F5	-1.280	-0.739	-0.234

	Si1	H2	F3	F4	F5
Si1		1.4561	1.5798	1.5798	1.5798
H2	1.4561		2.4979	2.4979	2.4979
F3	1.5798	2.4979		2.5602	2.5602
F4	1.5798	2.4979	2.5602		2.5602
F5	1.5798	2.4979	2.5602	2.5602

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	Si1	F3	110.661	H2	Si1	F4	110.661
H2	Si1	F5	110.661	F3	Si1	F4	108.255
F3	Si1	F5	108.255	F4	Si1	F5	108.255

All results from a given calculation for SiHF₃ (trifluorosilane)

using model chemistry: B3LYP/aug-cc-pCVTZ

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	1.768
2	H	-0.026
3	F	-0.581
4	F	-0.581
5	F	-0.581

	x	y	z	Total
	0.000	0.000	1.393	1.393
CHELPG
AIM
ESP

<r²>	82.883
(<r²>)^1/2	9.104

All results from a given calculation for SiHF3 (trifluorosilane)

using model chemistry: B3LYP/aug-cc-pCVTZ

States and conformations

All results from a given calculation for SiHF₃ (trifluorosilane)