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	hartrees
Energy at 0K	-76.130656
Energy at 298.15K
HF Energy	-76.130656
Nuclear repulsion energy	64.689068

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	2487	2247	78.72	77.66	0.17	0.30
2	A₁	878	793	108.20	3.24	0.00	0.00
3	A₁	433	391	92.23	0.57	0.66	0.80
4	E	1023	924	324.28	0.30	0.75	0.86
4	E	1023	924	324.28	0.30	0.75	0.86
5	E	895	808	24.30	7.50	0.75	0.86
5	E	895	808	24.30	7.50	0.75	0.86
6	E	306	277	16.17	0.44	0.75	0.86
6	E	306	277	16.17	0.44	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
Si1	0.000	0.000	0.331
H2	0.000	0.000	1.791
F3	0.000	1.469	-0.238
F4	1.272	-0.734	-0.238
F5	-1.272	-0.734	-0.238

	Si1	H2	F3	F4	F5
Si1		1.4603	1.5749	1.5749	1.5749
H2	1.4603		2.5045	2.5045	2.5045
F3	1.5749	2.5045		2.5440	2.5440
F4	1.5749	2.5045	2.5440		2.5440
F5	1.5749	2.5045	2.5440	2.5440

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	Si1	F3	111.155	H2	Si1	F4	111.155
H2	Si1	F5	111.155	F3	Si1	F4	107.737
F3	Si1	F5	107.737	F4	Si1	F5	107.737

All results from a given calculation for SiHF₃ (trifluorosilane)

using model chemistry: HF/CEP-121G*

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	1.235
2	H	-0.055
3	F	-0.394
4	F	-0.394
5	F	-0.394

	x	y	z	Total
	0.000	0.000	1.740	1.740
CHELPG
AIM
ESP

<r²>	67.164
(<r²>)^1/2	8.195

All results from a given calculation for SiHF3 (trifluorosilane)

using model chemistry: HF/CEP-121G*

States and conformations

All results from a given calculation for SiHF₃ (trifluorosilane)