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	hartrees
Energy at 0K	-589.606200
Energy at 298.15K
HF Energy	-589.606200
Nuclear repulsion energy	188.314034

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	2361	2361	57.14	100.41	0.09	0.16
2	A₁	845	845	80.09	7.43	0.00	0.00
3	A₁	413	413	66.17	0.53	0.53	0.69
4	E	989	989	248.57	0.62	0.75	0.86
4	E	989	989	248.58	0.62	0.75	0.86
5	E	833	833	19.21	3.94	0.75	0.86
5	E	833	833	19.22	3.93	0.75	0.86
6	E	295	295	11.74	0.36	0.75	0.86
6	E	295	295	11.74	0.36	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
Si1	0.000	0.000	0.322
H2	0.000	0.000	1.783
F3	0.000	1.472	-0.233
F4	1.275	-0.736	-0.233
F5	-1.275	-0.736	-0.233

	Si1	H2	F3	F4	F5
Si1		1.4603	1.5738	1.5738	1.5738
H2	1.4603		2.4964	2.4964	2.4964
F3	1.5738	2.4964		2.5504	2.5504
F4	1.5738	2.4964	2.5504		2.5504
F5	1.5738	2.4964	2.5504	2.5504

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	Si1	F3	110.675	H2	Si1	F4	110.675
H2	Si1	F5	110.675	F3	Si1	F4	108.241
F3	Si1	F5	108.241	F4	Si1	F5	108.241

All results from a given calculation for SiHF₃ (trifluorosilane)

using model chemistry: HSEh1PBE/aug-cc-pCVTZ

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	1.684
2	H	0.001
3	F	-0.562
4	F	-0.562
5	F	-0.562

	x	y	z	Total
	0.000	0.000	1.361	1.361
CHELPG
AIM
ESP

	x	y	z
x	3.573	0.000	0.000
y	0.000	3.573	-0.000
z	0.000	-0.000	3.635

<r²>	82.269
(<r²>)^1/2	9.070

All results from a given calculation for SiHF3 (trifluorosilane)

using model chemistry: HSEh1PBE/aug-cc-pCVTZ

States and conformations

All results from a given calculation for SiHF₃ (trifluorosilane)