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	hartrees
Energy at 0K	-589.972710
Energy at 298.15K
HF Energy	-589.972710
Nuclear repulsion energy	187.400868

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	2371	2293	58.59	96.64	0.10	0.19
2	A₁	828	801	78.50	6.87	0.00	0.01
3	A₁	413	399	65.19	0.60	0.56	0.72
4	E	971	939	255.20	0.60	0.75	0.86
4	E	971	939	255.16	0.60	0.75	0.86
5	E	829	802	15.54	4.77	0.75	0.86
5	E	829	802	15.54	4.77	0.75	0.86
6	E	297	287	11.53	0.45	0.75	0.86
6	E	297	287	11.53	0.45	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
Si1	0.000	0.000	0.323
H2	0.000	0.000	1.777
F3	0.000	1.481	-0.233
F4	1.283	-0.740	-0.233
F5	-1.283	-0.740	-0.233

	Si1	H2	F3	F4	F5
Si1		1.4546	1.5818	1.5818	1.5818
H2	1.4546		2.4970	2.4970	2.4970
F3	1.5818	2.4970		2.5651	2.5651
F4	1.5818	2.4970	2.5651		2.5651
F5	1.5818	2.4970	2.5651	2.5651

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	Si1	F3	110.573	H2	Si1	F4	110.573
H2	Si1	F5	110.573	F3	Si1	F4	108.348
F3	Si1	F5	108.348	F4	Si1	F5	108.348

All results from a given calculation for SiHF₃ (trifluorosilane)

using model chemistry: B3LYP/6-311+G(3df,2p)

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	1.285
2	H	-0.058
3	F	-0.409
4	F	-0.409
5	F	-0.409

	x	y	z	Total
	0.000	0.000	1.386	1.386
CHELPG
AIM
ESP

<r²>	83.059
(<r²>)^1/2	9.114

All results from a given calculation for SiHF3 (trifluorosilane)

using model chemistry: B3LYP/6-311+G(3df,2p)

States and conformations

All results from a given calculation for SiHF₃ (trifluorosilane)