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	hartrees
Energy at 0K	-589.497337
Energy at 298.15K
HF Energy	-589.497337
Nuclear repulsion energy	183.668616

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	2263	56.67	98.32	0.15	0.27
2	A₁	789	780	79.56	7.07	0.00	0.00
3	A₁	382	378	63.34	1.38	0.68	0.81
4	E	926	915	248.09	0.59	0.75	0.86
4	E	926	915	248.09	0.59	0.75	0.86
5	E	775	766	18.64	9.96	0.75	0.86
5	E	775	766	18.64	9.96	0.75	0.86
6	E	271	268	11.80	1.09	0.75	0.86
6	E	271	268	11.80	1.09	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
Si1	0.000	0.000	0.334
H2	0.000	0.000	1.811
F3	0.000	1.509	-0.240
F4	1.307	-0.755	-0.240
F5	-1.307	-0.755	-0.240

	Si1	H2	F3	F4	F5
Si1		1.4767	1.6150	1.6150	1.6150
H2	1.4767		2.5468	2.5468	2.5468
F3	1.6150	2.5468		2.6143	2.6143
F4	1.6150	2.5468	2.6143		2.6143
F5	1.6150	2.5468	2.6143	2.6143

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	Si1	F3	110.844	H2	Si1	F4	110.844
H2	Si1	F5	110.844	F3	Si1	F4	108.064
F3	Si1	F5	108.064	F4	Si1	F5	108.064

All results from a given calculation for SiHF₃ (trifluorosilane)

using model chemistry: PBEPBE/TZVP

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	0.866
2	H	-0.068
3	F	-0.266
4	F	-0.266
5	F	-0.266

	x	y	z	Total
	0.000	0.000	1.583	1.583
CHELPG
AIM
ESP

<r²>	85.809
(<r²>)^1/2	9.263

All results from a given calculation for SiHF3 (trifluorosilane)

using model chemistry: PBEPBE/TZVP

States and conformations

All results from a given calculation for SiHF₃ (trifluorosilane)