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	hartrees
Energy at 0K	-581.505804
Energy at 298.15K
HF Energy	-581.505804
Nuclear repulsion energy	180.292301

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	2456	2244	74.28	64.10	0.31	0.48
2	A₁	764	698	18.76	5.69	0.00	0.00
3	A₁	334	306	30.54	1.68	0.75	0.86
4	E	971	887	136.78	0.81	0.75	0.86
4	E	971	887	136.78	0.81	0.75	0.86
5	E	795	727	19.86	9.88	0.75	0.86
5	E	795	727	19.86	9.88	0.75	0.86
6	E	251	229	5.26	1.28	0.75	0.86
6	E	251	229	5.26	1.28	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
Si1	0.000	0.000	0.348
H2	0.000	0.000	1.821
F3	0.000	1.536	-0.248
F4	1.331	-0.768	-0.248
F5	-1.331	-0.768	-0.248

	Si1	H2	F3	F4	F5
Si1		1.4728	1.6478	1.6478	1.6478
H2	1.4728		2.5765	2.5765	2.5765
F3	1.6478	2.5765		2.6611	2.6611
F4	1.6478	2.5765	2.6611		2.6611
F5	1.6478	2.5765	2.6611	2.6611

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	Si1	F3	111.185	H2	Si1	F4	111.185
H2	Si1	F5	111.185	F3	Si1	F4	107.704
F3	Si1	F5	107.704	F4	Si1	F5	107.704

All results from a given calculation for SiHF₃ (trifluorosilane)

using model chemistry: PBEPBE/STO-3G

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	0.774
2	H	-0.131
3	F	-0.214
4	F	-0.214
5	F	-0.214

	x	y	z	Total
	0.000	0.000	0.634	0.634
CHELPG
AIM
ESP

<r²>	85.734
(<r²>)^1/2	9.259

All results from a given calculation for SiHF3 (trifluorosilane)

using model chemistry: PBEPBE/STO-3G

States and conformations

All results from a given calculation for SiHF₃ (trifluorosilane)