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	hartrees
Energy at 0K	-589.863654
Energy at 298.15K
HF Energy	-589.863654
Nuclear repulsion energy	189.011148

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	2418	2418	56.23	93.05	0.08	0.15
2	A₁	869	869	84.77	6.19	0.00	0.00
3	A₁	421	421	72.88	0.49	0.55	0.71
4	E	1010	1010	259.26	0.51	0.75	0.86
4	E	1010	1010	259.27	0.51	0.75	0.86
5	E	857	857	22.64	3.37	0.75	0.86
5	E	857	857	22.68	3.37	0.75	0.86
6	E	303	303	13.07	0.33	0.75	0.86
6	E	302	302	13.09	0.32	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
Si1	0.000	0.000	0.325
H2	0.000	0.000	1.775
F3	0.000	1.466	-0.234
F4	1.269	-0.733	-0.234
F5	-1.269	-0.733	-0.234

	Si1	H2	F3	F4	F5
Si1		1.4502	1.5688	1.5688	1.5688
H2	1.4502		2.4872	2.4872	2.4872
F3	1.5688	2.4872		2.5387	2.5387
F4	1.5688	2.4872	2.5387		2.5387
F5	1.5688	2.4872	2.5387	2.5387

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	Si1	F3	110.883	H2	Si1	F4	110.883
H2	Si1	F5	110.883	F3	Si1	F4	108.023
F3	Si1	F5	108.023	F4	Si1	F5	108.023

All results from a given calculation for SiHF₃ (trifluorosilane)

using model chemistry: M06-2X/aug-cc-pV(T+d)Z

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	1.695
2	H	-0.097
3	F	-0.533
4	F	-0.533
5	F	-0.533

	x	y	z	Total
	0.000	0.000	1.477	1.477
CHELPG
AIM
ESP

<r²>	81.777
(<r²>)^1/2	9.043

All results from a given calculation for SiHF3 (trifluorosilane)

using model chemistry: M06-2X/aug-cc-pV(T+d)Z

States and conformations

All results from a given calculation for SiHF₃ (trifluorosilane)