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	hartrees
Energy at 0K	-590.015837
Energy at 298.15K
HF Energy	-590.015837
Nuclear repulsion energy	187.583061

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	2366	2293	58.89	101.15	0.09	0.17
2	A₁	837	811	79.77	7.96	0.00	0.00
3	A₁	413	400	66.33	0.54	0.53	0.69
4	E	978	948	255.76	0.58	0.75	0.86
4	E	978	948	255.73	0.58	0.75	0.86
5	E	835	809	16.56	4.17	0.75	0.86
5	E	835	809	16.57	4.17	0.75	0.86
6	E	296	287	11.81	0.37	0.75	0.86
6	E	296	287	11.80	0.37	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
Si1	0.000	0.000	0.325
H2	0.000	0.000	1.781
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		1.4560	1.5805	1.5805	1.5805
H2	1.4560		2.4993	2.4993	2.4993
F3	1.5805	2.4993		2.5605	2.5605
F4	1.5805	2.4993	2.5605		2.5605
F5	1.5805	2.4993	2.5605	2.5605

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	Si1	F3	110.722	H2	Si1	F4	110.722
H2	Si1	F5	110.722	F3	Si1	F4	108.192
F3	Si1	F5	108.192	F4	Si1	F5	108.192

All results from a given calculation for SiHF₃ (trifluorosilane)

using model chemistry: B3LYP/aug-cc-pVQZ

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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HF vs MP2 Bad vib. Calc. vs exp. 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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	1.964
2	H	-0.105
3	F	-0.619
4	F	-0.619
5	F	-0.619

	x	y	z	Total
	0.000	0.000	1.410	1.410
CHELPG
AIM
ESP

<r²>	82.904
(<r²>)^1/2	9.105

All results from a given calculation for SiHF3 (trifluorosilane)

using model chemistry: B3LYP/aug-cc-pVQZ

States and conformations

All results from a given calculation for SiHF₃ (trifluorosilane)