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	hartrees
Energy at 0K	-589.531162
Energy at 298.15K
HF Energy	-589.531162
Nuclear repulsion energy	186.259168

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	2289	2289	54.02	108.93	0.10	0.18
2	A₁	806	806	71.81	9.64	0.00	0.00
3	A₁	397	397	57.11	0.69	0.51	0.67
4	E	947	947	231.99	0.82	0.75	0.86
4	E	947	947	231.99	0.82	0.75	0.86
5	E	799	799	14.42	4.55	0.75	0.86
5	E	799	799	14.43	4.54	0.75	0.86
6	E	284	284	10.35	0.47	0.75	0.86
6	E	284	284	10.35	0.47	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
Si1	0.000	0.000	0.324
H2	0.000	0.000	1.794
F3	0.000	1.490	-0.235
F4	1.290	-0.745	-0.235
F5	-1.290	-0.745	-0.235

	Si1	H2	F3	F4	F5
Si1		1.4702	1.5912	1.5912	1.5912
H2	1.4702		2.5171	2.5171	2.5171
F3	1.5912	2.5171		2.5805	2.5805
F4	1.5912	2.5171	2.5805		2.5805
F5	1.5912	2.5171	2.5805	2.5805

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	Si1	F3	110.553	H2	Si1	F4	110.553
H2	Si1	F5	110.553	F3	Si1	F4	108.368
F3	Si1	F5	108.368	F4	Si1	F5	108.368

All results from a given calculation for SiHF₃ (trifluorosilane)

using model chemistry: PBEPBEultrafine/aug-cc-pV(T+d)Z

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	1.736
2	H	-0.058
3	F	-0.559
4	F	-0.559
5	F	-0.559

	x	y	z	Total
	0.000	0.000	1.311	1.311
CHELPG
AIM
ESP

<r²>	83.903
(<r²>)^1/2	9.160

All results from a given calculation for SiHF3 (trifluorosilane)

using model chemistry: PBEPBEultrafine/aug-cc-pV(T+d)Z

States and conformations

All results from a given calculation for SiHF₃ (trifluorosilane)