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	hartrees
Energy at 0K	-588.019851
Energy at 298.15K
HF Energy	-588.019851
Nuclear repulsion energy	189.022342

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	2527	2281	108.44	67.38	0.17	0.29
2	A₁	913	824	99.67	2.90	0.00	0.00
3	A₁	448	404	95.12	0.48	0.74	0.85
4	E	1082	976	324.38	0.49	0.75	0.86
4	E	1082	976	324.38	0.49	0.75	0.86
5	E	930	839	28.48	8.01	0.75	0.86
5	E	930	839	28.48	8.01	0.75	0.86
6	E	320	289	16.59	0.36	0.75	0.86
6	E	320	289	16.59	0.36	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
Si1	0.000	0.000	0.325
H2	0.000	0.000	1.774
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		1.4495	1.5687	1.5687	1.5687
H2	1.4495		2.4865	2.4865	2.4865
F3	1.5687	2.4865		2.5386	2.5386
F4	1.5687	2.4865	2.5386		2.5386
F5	1.5687	2.4865	2.5386	2.5386

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	Si1	F3	110.882	H2	Si1	F4	110.882
H2	Si1	F5	110.882	F3	Si1	F4	108.024
F3	Si1	F5	108.024	F4	Si1	F5	108.024

All results from a given calculation for SiHF₃ (trifluorosilane)

using model chemistry: HF/6-31G**

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	1.622
2	H	-0.179
3	F	-0.481
4	F	-0.481
5	F	-0.481

	x	y	z	Total
	0.000	0.000	1.567	1.567
CHELPG
AIM
ESP

<r²>	81.547
(<r²>)^1/2	9.030

All results from a given calculation for SiHF3 (trifluorosilane)

using model chemistry: HF/6-31G**

States and conformations

All results from a given calculation for SiHF₃ (trifluorosilane)