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	hartrees
Energy at 0K	-587.599600
Energy at 298.15K
HF Energy	-587.599600
Nuclear repulsion energy	186.169342

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	2318	2283	51.90	106.89	0.12	0.22
2	A₁	828	816	80.40	8.33	0.00	0.00
3	A₁	390	384	62.97	1.11	0.68	0.81
4	E	978	964	245.66	0.94	0.75	0.86
4	E	978	964	245.66	0.94	0.75	0.86
5	E	782	770	20.68	8.58	0.75	0.86
5	E	782	770	20.68	8.58	0.75	0.86
6	E	276	272	12.67	0.81	0.75	0.86
6	E	276	272	12.67	0.81	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
Si1	0.000	0.000	0.331
H2	0.000	0.000	1.804
F3	0.000	1.488	-0.238
F4	1.288	-0.744	-0.238
F5	-1.288	-0.744	-0.238

	Si1	H2	F3	F4	F5
Si1		1.4726	1.5929	1.5929	1.5929
H2	1.4726		2.5264	2.5264	2.5264
F3	1.5929	2.5264		2.5767	2.5767
F4	1.5929	2.5264	2.5767		2.5767
F5	1.5929	2.5264	2.5767	2.5767

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	Si1	F3	110.940	H2	Si1	F4	110.940
H2	Si1	F5	110.940	F3	Si1	F4	107.963
F3	Si1	F5	107.963	F4	Si1	F5	107.963

All results from a given calculation for SiHF₃ (trifluorosilane)

using model chemistry: SVWN/6-31+G**

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	0.786
2	H	-0.038
3	F	-0.249
4	F	-0.249
5	F	-0.249

	x	y	z	Total
	0.000	0.000	1.597	1.597
CHELPG
AIM
ESP

<r²>	83.920
(<r²>)^1/2	9.161

All results from a given calculation for SiHF3 (trifluorosilane)

using model chemistry: SVWN/6-31+G**

States and conformations

All results from a given calculation for SiHF₃ (trifluorosilane)