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	hartrees
Energy at 0K	-589.431577
Energy at 298.15K
HF Energy	-589.431577
Nuclear repulsion energy	183.045958

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	2351	2261	56.05	86.87	0.17	0.29
2	A₁	825	793	73.73	4.83	0.00	0.00
3	A₁	389	374	71.95	1.11	0.71	0.83
4	E	984	947	214.58	0.39	0.75	0.86
4	E	984	947	214.56	0.39	0.75	0.86
5	E	802	771	23.58	9.33	0.75	0.86
5	E	802	771	23.58	9.33	0.75	0.86
6	E	276	266	13.46	0.71	0.75	0.86
6	E	276	266	13.46	0.71	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
Si1	0.000	0.000	0.338
H2	0.000	0.000	1.810
F3	0.000	1.514	-0.242
F4	1.311	-0.757	-0.242
F5	-1.311	-0.757	-0.242

	Si1	H2	F3	F4	F5
Si1		1.4722	1.6213	1.6213	1.6213
H2	1.4722		2.5501	2.5501	2.5501
F3	1.6213	2.5501		2.6225	2.6225
F4	1.6213	2.5501	2.6225		2.6225
F5	1.6213	2.5501	2.6225	2.6225

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	Si1	F3	110.952	H2	Si1	F4	110.952
H2	Si1	F5	110.952	F3	Si1	F4	107.951
F3	Si1	F5	107.951	F4	Si1	F5	107.951

All results from a given calculation for SiHF₃ (trifluorosilane)

using model chemistry: HSEh1PBE/cc-pVDZ

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	0.965
2	H	-0.066
3	F	-0.300
4	F	-0.300
5	F	-0.300

	x	y	z	Total
	0.000	0.000	1.645	1.645
CHELPG
AIM
ESP

<r²>	85.906
(<r²>)^1/2	9.269

All results from a given calculation for SiHF3 (trifluorosilane)

using model chemistry: HSEh1PBE/cc-pVDZ

States and conformations

All results from a given calculation for SiHF₃ (trifluorosilane)