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	hartrees
Energy at 0K	-589.660103
Energy at 298.15K
HF Energy	-589.660103
Nuclear repulsion energy	186.834373

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)	Raman Act (Å⁴/u)	Dep P	Dep U
1	?_a	818	818	62.25	6.27	0.00	0.00
2	?_a	816	816	16.23	6.09	0.75	0.86
3	?_a	816	816	16.23	6.08	0.75	0.86
4	A₁	2293	2293	70.82	72.74	0.16	0.27
4	A₁	409	409	52.39	0.68	0.65	0.78
5	E	979	979	204.42	0.41	0.75	0.86
5	E	979	979	204.36	0.41	0.75	0.86
6	E	295	295	9.09	0.43	0.75	0.86
6	E	295	295	9.08	0.43	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
Si1	0.000	0.000	0.321
H2	0.000	0.000	1.790
F3	0.000	1.486	-0.233
F4	1.287	-0.743	-0.233
F5	-1.287	-0.743	-0.233

	Si1	H2	F3	F4	F5
Si1		1.4687	1.5858	1.5858	1.5858
H2	1.4687		2.5097	2.5097	2.5097
F3	1.5858	2.5097		2.5738	2.5738
F4	1.5858	2.5097	2.5738		2.5738
F5	1.5858	2.5097	2.5738	2.5738

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	Si1	F3	110.442	H2	Si1	F4	110.442
H2	Si1	F5	110.442	F3	Si1	F4	108.483
F3	Si1	F5	108.483	F4	Si1	F5	108.483

All results from a given calculation for SiHF₃ (trifluorosilane)

using model chemistry: B97D3/6-31G(2df,p)

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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HF vs MP2 Bad vib. Calc. vs exp. 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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	0.502
2	H	0.012
3	F	-0.171
4	F	-0.171
5	F	-0.171

	x	y	z	Total
	0.000	0.000	1.065	1.065
CHELPG
AIM
ESP

<r²>	82.816
(<r²>)^1/2	9.100

All results from a given calculation for SiHF3 (trifluorosilane)

using model chemistry: B97D3/6-31G(2df,p)

States and conformations

All results from a given calculation for SiHF₃ (trifluorosilane)