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	hartrees
Energy at 0K	-586.612611
Energy at 298.15K
HF Energy	-586.612611
Nuclear repulsion energy	185.867623

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	2377	2377	111.70	69.38	0.19	0.31
2	A₁	865	865	60.32	5.56	0.00	0.00
3	A₁	414	414	61.40	1.14	0.74	0.85
4	E	1064	1064	206.87	0.65	0.75	0.86
4	E	1064	1064	206.86	0.65	0.75	0.86
5	E	867	867	21.18	10.67	0.75	0.86
5	E	867	867	21.19	10.67	0.75	0.86
6	E	305	305	11.19	0.72	0.75	0.86
6	E	305	305	11.18	0.72	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
Si1	0.000	0.000	0.334
H2	0.000	0.000	1.805
F3	0.000	1.489	-0.240
F4	1.290	-0.745	-0.240
F5	-1.290	-0.745	-0.240

	Si1	H2	F3	F4	F5
Si1		1.4709	1.5960	1.5960	1.5960
H2	1.4709		2.5294	2.5294	2.5294
F3	1.5960	2.5294		2.5796	2.5796
F4	1.5960	2.5294	2.5796		2.5796
F5	1.5960	2.5294	2.5796	2.5796

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	Si1	F3	111.062	H2	Si1	F4	111.062
H2	Si1	F5	111.062	F3	Si1	F4	107.835
F3	Si1	F5	107.835	F4	Si1	F5	107.835

All results from a given calculation for SiHF₃ (trifluorosilane)

using model chemistry: B97D3/3-21G*

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	0.977
2	H	-0.124
3	F	-0.284
4	F	-0.284
5	F	-0.284

	x	y	z	Total
	0.000	0.000	1.237	1.237
CHELPG
AIM
ESP

<r²>	83.423
(<r²>)^1/2	9.134

All results from a given calculation for SiHF3 (trifluorosilane)

using model chemistry: B97D3/3-21G*

States and conformations

All results from a given calculation for SiHF₃ (trifluorosilane)