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	hartrees
Energy at 0K	-483.775781
Energy at 298.15K
HF Energy	-483.748733
Nuclear repulsion energy	116.124876

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	2655	2655	32.85	63.05	0.13	0.24
2	A₁	1141	1141	135.13	18.40	0.72	0.84
3	A₁	854	854	10.22	4.59	0.16	0.27
4	A₁	307	307	13.55	1.54	0.75	0.86
5	A₂	821	821	0.00	12.70	0.75	0.86
6	B₁	2690	2690	54.61	39.19	0.75	0.86
7	B₁	708	708	118.06	3.78	0.75	0.86
8	B₂	1078	1078	252.02	3.16	0.75	0.86
9	B₂	925	925	4.91	6.05	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
Si1	0.000	0.000	0.467
F2	0.000	1.309	-0.507
F3	0.000	-1.309	-0.507
H4	1.185	0.000	1.294
H5	-1.185	0.000	1.294

	Si1	F2	F3	H4	H5
Si1		1.6317	1.6317	1.4452	1.4452
F2	1.6317		2.6184	2.5224	2.5224
F3	1.6317	2.6184		2.5224	2.5224
H4	1.4452	2.5224	2.5224		2.3697
H5	1.4452	2.5224	2.5224	2.3697

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F2	Si1	F3	106.712	F2	Si1	H4	109.981
F2	Si1	H5	109.981	F3	Si1	H4	109.981
F3	Si1	H5	109.981	H4	Si1	H5	110.147

All results from a given calculation for SiH₂F₂ (difluorosilane)

using model chemistry: B2PLYP=FULLultrafine/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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All results from a given calculation for SiH2F2 (difluorosilane)

using model chemistry: B2PLYP=FULLultrafine/STO-3G

States and conformations

All results from a given calculation for SiH₂F₂ (difluorosilane)