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	hartrees
Energy at 0K	-581.928286
Energy at 298.15K
HF Energy	-581.928286
Nuclear repulsion energy	182.532082

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	2612	2296	48.99	56.68	0.31	0.47
2	A₁	796	700	23.02	5.08	0.00	0.00
3	A₁	361	317	41.96	1.50	0.75	0.86
4	E	1015	892	154.09	1.04	0.75	0.86
4	E	1015	892	154.09	1.04	0.75	0.86
5	E	854	750	22.14	9.76	0.75	0.86
5	E	854	750	22.14	9.76	0.75	0.86
6	E	272	239	7.81	1.25	0.75	0.86
6	E	272	239	7.81	1.25	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
Si1	0.000	0.000	0.345
H2	0.000	0.000	1.797
F3	0.000	1.517	-0.246
F4	1.314	-0.758	-0.246
F5	-1.314	-0.758	-0.246

	Si1	H2	F3	F4	F5
Si1		1.4516	1.6279	1.6280	1.6280
H2	1.4516		2.5441	2.5441	2.5441
F3	1.6279	2.5441		2.6275	2.6275
F4	1.6280	2.5441	2.6275		2.6275
F5	1.6280	2.5441	2.6275	2.6275

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	Si1	F3	111.278	H2	Si1	F4	111.278
H2	Si1	F5	111.278	F3	Si1	F4	107.605
F3	Si1	F5	107.605	F4	Si1	F5	107.605

All results from a given calculation for SiHF₃ (trifluorosilane)

using model chemistry: mPW1PW91/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	0.903
2	H	-0.137
3	F	-0.256
4	F	-0.256
5	F	-0.256

	x	y	z	Total
	0.000	0.000	0.877	0.877
CHELPG
AIM
ESP

<r²>	84.125
(<r²>)^1/2	9.172

All results from a given calculation for SiHF3 (trifluorosilane)

using model chemistry: mPW1PW91/STO-3G

States and conformations

All results from a given calculation for SiHF₃ (trifluorosilane)