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	hartrees
Energy at 0K	-589.529122
Energy at 298.15K
HF Energy	-589.529122
Nuclear repulsion energy	186.771237

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	2387	2290	67.06	85.07	0.17	0.29
2	A₁	844	810	89.69	4.31	0.00	0.00
3	A₁	409	393	76.67	1.08	0.72	0.84
4	E	1003	963	278.97	0.57	0.75	0.86
4	E	1003	963	278.96	0.57	0.75	0.86
5	E	841	807	17.76	11.94	0.75	0.86
5	E	841	807	17.77	11.94	0.75	0.86
6	E	296	284	13.92	0.86	0.75	0.86
6	E	296	284	13.92	0.86	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
Si1	0.000	0.000	0.330
H2	0.000	0.000	1.790
F3	0.000	1.483	-0.238
F4	1.284	-0.742	-0.238
F5	-1.284	-0.742	-0.238

	Si1	H2	F3	F4	F5
Si1		1.4597	1.5882	1.5882	1.5882
H2	1.4597		2.5122	2.5122	2.5122
F3	1.5882	2.5122		2.5688	2.5688
F4	1.5882	2.5122	2.5688		2.5688
F5	1.5882	2.5122	2.5688	2.5688

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	Si1	F3	110.957	H2	Si1	F4	110.957
H2	Si1	F5	110.957	F3	Si1	F4	107.945
F3	Si1	F5	107.945	F4	Si1	F5	107.945

All results from a given calculation for SiHF₃ (trifluorosilane)

using model chemistry: HSEh1PBE/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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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	1.288
2	H	-0.105
3	F	-0.395
4	F	-0.395
5	F	-0.395

	x	y	z	Total
	0.000	0.000	1.614	1.614
CHELPG
AIM
ESP

	x	y	z
x	2.567	0.000	0.000
y	0.000	2.567	-0.000
z	0.000	-0.000	2.772

<r²>	83.346
(<r²>)^1/2	9.129

All results from a given calculation for SiHF3 (trifluorosilane)

using model chemistry: HSEh1PBE/6-311G*

States and conformations

All results from a given calculation for SiHF₃ (trifluorosilane)