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	hartrees
Energy at 0K	-589.630078
Energy at 298.15K
HF Energy	-589.630078
Nuclear repulsion energy	185.270370

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	2321	2321	93.79	83.13	0.18	0.30
2	A₁	822	822	67.76	6.19	0.00	0.00
3	A₁	406	406	59.40	1.00	0.70	0.83
4	E	994	994	234.64	0.61	0.75	0.86
4	E	994	994	234.64	0.61	0.75	0.86
5	E	834	834	12.83	9.90	0.75	0.86
5	E	834	834	12.83	9.89	0.75	0.86
6	E	291	291	10.62	0.66	0.75	0.86
6	E	291	291	10.62	0.66	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
Si1	0.000	0.000	0.326
H2	0.000	0.000	1.798
F3	0.000	1.498	-0.236
F4	1.297	-0.749	-0.236
F5	-1.297	-0.749	-0.236

	Si1	H2	F3	F4	F5
Si1		1.4715	1.6000	1.6000	1.6000
H2	1.4715		2.5258	2.5258	2.5258
F3	1.6000	2.5258		2.5946	2.5946
F4	1.6000	2.5258	2.5946		2.5946
F5	1.6000	2.5258	2.5946	2.5946

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	Si1	F3	110.570	H2	Si1	F4	110.570
H2	Si1	F5	110.570	F3	Si1	F4	108.351
F3	Si1	F5	108.351	F4	Si1	F5	108.351

All results from a given calculation for SiHF₃ (trifluorosilane)

using model chemistry: B97D3/6-31G**

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	1.148
2	H	-0.113
3	F	-0.345
4	F	-0.345
5	F	-0.345

	x	y	z	Total
	0.000	0.000	1.280	1.280
CHELPG
AIM
ESP

<r²>	84.031
(<r²>)^1/2	9.167

All results from a given calculation for SiHF3 (trifluorosilane)

using model chemistry: B97D3/6-31G**

States and conformations

All results from a given calculation for SiHF₃ (trifluorosilane)