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	hartrees
Energy at 0K	-589.471630
Energy at 298.15K
HF Energy	-589.471630
Nuclear repulsion energy	183.762851

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	2353	2264	40.20	107.27	0.10	0.18
2	A₁	809	779	80.35	8.89	0.00	0.00
3	A₁	383	369	63.52	0.72	0.54	0.70
4	E	947	911	240.44	0.93	0.75	0.86
4	E	947	911	240.47	0.93	0.75	0.86
5	E	800	769	17.37	4.84	0.75	0.86
5	E	799	769	17.40	4.84	0.75	0.86
6	E	268	258	11.91	0.48	0.75	0.86
6	E	268	258	11.91	0.48	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
Si1	0.000	0.000	0.340
H2	0.000	0.000	1.811
F3	0.000	1.506	-0.243
F4	1.304	-0.753	-0.243
F5	-1.304	-0.753	-0.243

	Si1	H2	F3	F4	F5
Si1		1.4707	1.6154	1.6154	1.6154
H2	1.4707		2.5473	2.5473	2.5473
F3	1.6154	2.5473		2.6089	2.6089
F4	1.6154	2.5473	2.6089		2.6089
F5	1.6154	2.5473	2.6089	2.6089

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	Si1	F3	111.180	H2	Si1	F4	111.180
H2	Si1	F5	111.180	F3	Si1	F4	107.709
F3	Si1	F5	107.709	F4	Si1	F5	107.709

All results from a given calculation for SiHF₃ (trifluorosilane)

using model chemistry: HSEh1PBE/aug-cc-pVDZ

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	1.500
2	H	0.232
3	F	-0.577
4	F	-0.577
5	F	-0.577

	x	y	z	Total
	0.000	0.000	1.727	1.727
CHELPG
AIM
ESP

<r²>	85.601
(<r²>)^1/2	9.252

All results from a given calculation for SiHF3 (trifluorosilane)

using model chemistry: HSEh1PBE/aug-cc-pVDZ

States and conformations

All results from a given calculation for SiHF₃ (trifluorosilane)