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	hartrees
Energy at 0K	-589.920041
Energy at 298.15K
HF Energy	-589.920041
Nuclear repulsion energy	186.173528

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	2378	2299	68.47	89.39	0.16	0.27
2	A₁	835	807	88.99	4.50	0.00	0.00
3	A₁	408	394	75.90	1.10	0.72	0.83
4	E	990	957	273.99	0.54	0.75	0.86
4	E	990	957	273.97	0.54	0.75	0.86
5	E	841	813	16.28	11.37	0.75	0.86
5	E	841	813	16.28	11.37	0.75	0.86
6	E	295	285	13.80	0.87	0.75	0.86
6	E	295	285	13.80	0.87	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
Si1	0.000	0.000	0.332
H2	0.000	0.000	1.789
F3	0.000	1.488	-0.238
F4	1.289	-0.744	-0.238
F5	-1.289	-0.744	-0.238

	Si1	H2	F3	F4	F5
Si1		1.4577	1.5935	1.5935	1.5935
H2	1.4577		2.5150	2.5150	2.5150
F3	1.5935	2.5150		2.5777	2.5777
F4	1.5935	2.5150	2.5777		2.5777
F5	1.5935	2.5150	2.5777	2.5777

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	Si1	F3	110.946	H2	Si1	F4	110.946
H2	Si1	F5	110.946	F3	Si1	F4	107.957
F3	Si1	F5	107.957	F4	Si1	F5	107.957

All results from a given calculation for SiHF₃ (trifluorosilane)

using model chemistry: B3LYP/6-311G**

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	1.352
2	H	-0.169
3	F	-0.394
4	F	-0.394
5	F	-0.394

	x	y	z	Total
	0.000	0.000	1.629	1.629
CHELPG
AIM
ESP

<r²>	83.859
(<r²>)^1/2	9.157

All results from a given calculation for SiHF3 (trifluorosilane)

using model chemistry: B3LYP/6-311G**

States and conformations

All results from a given calculation for SiHF₃ (trifluorosilane)