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	hartrees
Energy at 0K	-589.710098
Energy at 298.15K
HF Energy	-589.710098
Nuclear repulsion energy	183.069519

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	2332	2221	59.72	84.15	0.17	0.29
2	A₁	831	792	75.95	4.61	0.00	0.00
3	A₁	393	374	75.13	1.07	0.71	0.83
4	E	990	943	223.28	0.38	0.75	0.86
4	E	990	943	223.25	0.37	0.75	0.86
5	E	813	774	25.09	8.96	0.75	0.86
5	E	813	774	25.09	8.96	0.75	0.86
6	E	279	266	14.04	0.69	0.75	0.86
6	E	279	266	14.04	0.69	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
Si1	0.000	0.000	0.337
H2	0.000	0.000	1.805
F3	0.000	1.515	-0.241
F4	1.312	-0.757	-0.241
F5	-1.312	-0.757	-0.241

	Si1	H2	F3	F4	F5
Si1		1.4682	1.6211	1.6211	1.6211
H2	1.4682		2.5457	2.5457	2.5457
F3	1.6211	2.5457		2.6233	2.6233
F4	1.6211	2.5457	2.6233		2.6233
F5	1.6211	2.5457	2.6233	2.6233

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	Si1	F3	110.888	H2	Si1	F4	110.888
H2	Si1	F5	110.888	F3	Si1	F4	108.018
F3	Si1	F5	108.018	F4	Si1	F5	108.018

All results from a given calculation for SiHF₃ (trifluorosilane)

using model chemistry: wB97X-D/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	0.991
2	H	-0.072
3	F	-0.306
4	F	-0.306
5	F	-0.306

	x	y	z	Total
	0.000	0.000	1.667	1.667
CHELPG
AIM
ESP

<r²>	85.910
(<r²>)^1/2	9.269

All results from a given calculation for SiHF3 (trifluorosilane)

using model chemistry: wB97X-D/cc-pVDZ

States and conformations

All results from a given calculation for SiHF₃ (trifluorosilane)