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	hartrees
Energy at 0K	-589.439392
Energy at 298.15K
HF Energy	-589.244998
Nuclear repulsion energy	186.615653

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	2433	2310	93.47	75.34	0.18	0.30
2	A₁	861	817	74.37	5.28	0.00	0.00
3	A₁	419	398	70.54	0.88	0.71	0.83
4	E	1036	984	258.31	0.58	0.75	0.86
4	E	1036	984	258.32	0.58	0.75	0.86
5	E	871	827	20.94	10.02	0.75	0.86
5	E	871	827	20.94	10.02	0.75	0.86
6	E	300	285	12.69	0.60	0.75	0.86
6	E	300	285	12.69	0.60	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
Si1	0.000	0.000	0.326
H2	0.000	0.000	1.787
F3	0.000	1.486	-0.235
F4	1.287	-0.743	-0.235
F5	-1.287	-0.743	-0.235

	Si1	H2	F3	F4	F5
Si1		1.4613	1.5887	1.5887	1.5887
H2	1.4613		2.5099	2.5099	2.5099
F3	1.5887	2.5099		2.5744	2.5744
F4	1.5887	2.5099	2.5744		2.5744
F5	1.5887	2.5099	2.5744	2.5744

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	Si1	F3	110.686	H2	Si1	F4	110.686
H2	Si1	F5	110.686	F3	Si1	F4	108.230
F3	Si1	F5	108.230	F4	Si1	F5	108.230

All results from a given calculation for SiHF₃ (trifluorosilane)

using model chemistry: B2PLYP/6-31G*

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	1.249
2	H	-0.103
3	F	-0.382
4	F	-0.382
5	F	-0.382

<r²>	83.201
(<r²>)^1/2	9.121

All results from a given calculation for SiHF3 (trifluorosilane)

using model chemistry: B2PLYP/6-31G*

States and conformations

All results from a given calculation for SiHF₃ (trifluorosilane)