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	hartrees
Energy at 0K	-589.784090
Energy at 298.15K
HF Energy	-589.784090
Nuclear repulsion energy	187.293666

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)	Raman Act (Å⁴/u)	Dep P	Dep U
1	?_a	864	864	94.90	3.34	0.00	0.00
2	?_a	861	861	22.18	10.74	0.75	0.86
3	?_a	861	861	22.23	10.75	0.75	0.86
4	A₁	2447	2447	68.04	79.57	0.16	0.28
4	A₁	416	416	85.31	0.97	0.73	0.84
5	E	1019	1019	294.62	0.46	0.75	0.86
5	E	1019	1019	294.67	0.45	0.75	0.86
6	E	301	301	15.49	0.78	0.75	0.86
6	E	301	301	15.52	0.78	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
Si1	0.000	0.000	0.332
H2	0.000	0.000	1.782
F3	0.000	1.478	-0.238
F4	1.280	-0.739	-0.238
F5	-1.280	-0.739	-0.238

	Si1	H2	F3	F4	F5
Si1		1.4502	1.5843	1.5843	1.5843
H2	1.4502		2.5032	2.5032	2.5032
F3	1.5843	2.5032		2.5604	2.5604
F4	1.5843	2.5032	2.5604		2.5604
F5	1.5843	2.5032	2.5604	2.5604

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	Si1	F3	111.084	H2	Si1	F4	111.084
H2	Si1	F5	111.084	F3	Si1	F4	107.811
F3	Si1	F5	107.811	F4	Si1	F5	107.811

All results from a given calculation for SiHF₃ (trifluorosilane)

using model chemistry: M06-2X/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	1.359
2	H	-0.112
3	F	-0.416
4	F	-0.416
5	F	-0.416

	x	y	z	Total
	0.000	0.000	1.710	1.710
CHELPG
AIM
ESP

<r²>	83.016
(<r²>)^1/2	9.111

All results from a given calculation for SiHF3 (trifluorosilane)

using model chemistry: M06-2X/6-311G*

States and conformations

All results from a given calculation for SiHF₃ (trifluorosilane)