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	hartrees
Energy at 0K	-589.593068
Energy at 298.15K
HF Energy	-589.593068
Nuclear repulsion energy	187.460060

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	2366	2366	54.72	100.66	0.09	0.17
2	A₁	841	841	79.73	7.99	0.00	0.00
3	A₁	410	410	66.74	0.53	0.53	0.69
4	E	983	983	245.66	0.66	0.75	0.86
4	E	983	983	245.67	0.65	0.75	0.86
5	E	830	830	20.60	4.04	0.75	0.86
5	E	830	830	20.62	4.03	0.75	0.86
6	E	291	291	11.89	0.36	0.75	0.86
6	E	291	291	11.90	0.36	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
Si1	0.000	0.000	0.326
H2	0.000	0.000	1.788
F3	0.000	1.479	-0.235
F4	1.281	-0.739	-0.235
F5	-1.281	-0.739	-0.235

	Si1	H2	F3	F4	F5
Si1		1.4623	1.5815	1.5815	1.5815
H2	1.4623		2.5060	2.5060	2.5060
F3	1.5815	2.5060		2.5611	2.5611
F4	1.5815	2.5060	2.5611		2.5611
F5	1.5815	2.5060	2.5611	2.5611

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	Si1	F3	110.775	H2	Si1	F4	110.775
H2	Si1	F5	110.775	F3	Si1	F4	108.136
F3	Si1	F5	108.136	F4	Si1	F5	108.136

All results from a given calculation for SiHF₃ (trifluorosilane)

using model chemistry: HSEh1PBE/daug-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	2.040
2	H	0.430
3	F	-0.823
4	F	-0.823
5	F	-0.823

	x	y	z	Total
	0.000	0.000	1.429	1.429
CHELPG
AIM
ESP

	x	y	z
x	3.616	0.000	0.000
y	0.000	3.616	-0.000
z	0.000	-0.000	3.684

<r²>	82.879
(<r²>)^1/2	9.104

All results from a given calculation for SiHF3 (trifluorosilane)

using model chemistry: HSEh1PBE/daug-cc-pVTZ

States and conformations

All results from a given calculation for SiHF₃ (trifluorosilane)