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	hartrees
Energy at 0K	-589.750220
Energy at 298.15K
HF Energy	-589.750220
Nuclear repulsion energy	183.880415

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	2329	2329	45.16	102.99	0.09	0.17
2	A₁	822	822	80.22	9.17	0.00	0.00
3	A₁	387	387	66.19	0.63	0.52	0.69
4	E	959	959	242.15	0.78	0.75	0.86
4	E	959	959	242.28	0.78	0.75	0.86
5	E	809	809	21.11	4.30	0.75	0.86
5	E	809	809	21.07	4.30	0.75	0.86
6	E	271	271	12.48	0.44	0.75	0.86
6	E	271	271	12.47	0.43	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
Si1	0.000	0.000	0.338
H2	0.000	0.000	1.805
F3	0.000	1.506	-0.242
F4	1.304	-0.753	-0.242
F5	-1.304	-0.753	-0.242

	Si1	H2	F3	F4	F5
Si1		1.4664	1.6142	1.6142	1.6142
H2	1.4664		2.5414	2.5414	2.5414
F3	1.6142	2.5414		2.6088	2.6088
F4	1.6142	2.5414	2.6088		2.6088
F5	1.6142	2.5414	2.6088	2.6088

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	Si1	F3	111.081	H2	Si1	F4	111.081
H2	Si1	F5	111.081	F3	Si1	F4	107.814
F3	Si1	F5	107.814	F4	Si1	F5	107.814

All results from a given calculation for SiHF₃ (trifluorosilane)

using model chemistry: wB97X-D/daug-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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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	1.467
2	H	0.302
3	F	-0.589
4	F	-0.589
5	F	-0.589

	x	y	z	Total
	0.000	0.000	1.737	1.737
CHELPG
AIM
ESP

<r²>	85.546
(<r²>)^1/2	9.249

All results from a given calculation for SiHF3 (trifluorosilane)

using model chemistry: wB97X-D/daug-cc-pVDZ

States and conformations

All results from a given calculation for SiHF₃ (trifluorosilane)