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	hartrees
Energy at 0K	-589.928217
Energy at 298.15K
HF Energy	-589.928217
Nuclear repulsion energy	184.803898

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	2301	2294	64.08	95.23	0.13	0.23
2	A₁	799	796	71.51	6.51	0.00	0.00
3	A₁	396	395	57.82	0.88	0.64	0.78
4	E	942	939	227.82	0.40	0.75	0.86
4	E	942	939	227.79	0.41	0.75	0.86
5	E	803	801	14.33	7.04	0.75	0.86
5	E	803	801	14.33	7.03	0.75	0.86
6	E	283	283	10.10	0.59	0.75	0.86
6	E	283	283	10.10	0.59	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
Si1	0.000	0.000	0.329
H2	0.000	0.000	1.797
F3	0.000	1.501	-0.237
F4	1.300	-0.751	-0.237
F5	-1.300	-0.751	-0.237

	Si1	H2	F3	F4	F5
Si1		1.4676	1.6047	1.6047	1.6047
H2	1.4676		2.5281	2.5281	2.5281
F3	1.6047	2.5281		2.6005	2.6005
F4	1.6047	2.5281	2.6005		2.6005
F5	1.6047	2.5281	2.6005	2.6005

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	Si1	F3	110.667	H2	Si1	F4	110.667
H2	Si1	F5	110.667	F3	Si1	F4	108.250
F3	Si1	F5	108.250	F4	Si1	F5	108.250

All results from a given calculation for SiHF₃ (trifluorosilane)

using model chemistry: BLYP/cc-pVTZ

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	0.799
2	H	-0.054
3	F	-0.248
4	F	-0.248
5	F	-0.248

	x	y	z	Total
	0.000	0.000	1.311	1.311
CHELPG
AIM
ESP

<r²>	84.825
(<r²>)^1/2	9.210

All results from a given calculation for SiHF3 (trifluorosilane)

using model chemistry: BLYP/cc-pVTZ

States and conformations

All results from a given calculation for SiHF₃ (trifluorosilane)