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	hartrees
Energy at 0K	-77.236749
Energy at 298.15K
HF Energy	-77.236749
Nuclear repulsion energy	63.621126

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	2349	2269	60.41	83.34	0.17	0.29
2	A₁	818	790	84.92	4.29	0.00	0.01
3	A₁	402	388	70.63	1.11	0.67	0.80
4	E	965	932	253.09	0.58	0.75	0.86
4	E	965	932	253.08	0.59	0.75	0.86
5	E	821	793	16.08	7.34	0.75	0.86
5	E	821	793	16.10	7.34	0.75	0.86
6	E	286	276	13.42	0.69	0.75	0.86
6	E	286	276	13.42	0.69	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
Si1	0.000	0.000	0.330
H2	0.000	0.000	1.803
F3	0.000	1.496	-0.238
F4	1.296	-0.748	-0.238
F5	-1.296	-0.748	-0.238

	Si1	H2	F3	F4	F5
Si1		1.4730	1.6004	1.6004	1.6004
H2	1.4730		2.5309	2.5309	2.5309
F3	1.6004	2.5309		2.5913	2.5913
F4	1.6004	2.5309	2.5913		2.5913
F5	1.6004	2.5309	2.5913	2.5913

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	Si1	F3	110.804	H2	Si1	F4	110.804
H2	Si1	F5	110.804	F3	Si1	F4	108.106
F3	Si1	F5	108.106	F4	Si1	F5	108.106

All results from a given calculation for SiHF₃ (trifluorosilane)

using model chemistry: B3LYP/CEP-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	0.715
2	H	0.061
3	F	-0.259
4	F	-0.259
5	F	-0.259

	x	y	z	Total
	0.000	0.000	1.628	1.628
CHELPG
AIM
ESP

<r²>	68.799
(<r²>)^1/2	8.295

All results from a given calculation for SiHF3 (trifluorosilane)

using model chemistry: B3LYP/CEP-31G*

States and conformations

All results from a given calculation for SiHF₃ (trifluorosilane)