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	hartrees
Energy at 0K	-490.383278
Energy at 298.15K
HF Energy	-490.177492
Nuclear repulsion energy	117.978954

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	2322	2232	54.29	212.29	0.06	0.11
2	A₁	993	955	120.31	4.43	0.72	0.84
3	A₁	854	821	75.48	6.96	0.08	0.15
4	A₁	311	299	17.87	0.47	0.71	0.83
5	A₂	739	710	0.00	6.07	0.75	0.86
6	B₁	2334	2243	136.93	31.69	0.75	0.86
7	B₁	715	687	127.35	2.21	0.75	0.86
8	B₂	971	933	293.51	0.01	0.75	0.86
9	B₂	901	866	6.18	3.95	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
Si1	0.000	0.000	0.453
F2	0.000	1.291	-0.490
F3	0.000	-1.291	-0.490
H4	1.236	0.000	1.245
H5	-1.236	0.000	1.245

	Si1	F2	F3	H4	H5
Si1		1.5986	1.5986	1.4677	1.4677
F2	1.5986		2.5815	2.4907	2.4907
F3	1.5986	2.5815		2.4907	2.4907
H4	1.4677	2.4907	2.4907		2.4714
H5	1.4677	2.4907	2.4907	2.4714

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F2	Si1	F3	107.686	F2	Si1	H4	108.564
F2	Si1	H5	108.564	F3	Si1	H4	108.564
F3	Si1	H5	108.564	H4	Si1	H5	114.689

All results from a given calculation for SiH₂F₂ (difluorosilane)

using model chemistry: B2PLYP/aug-cc-pVTZ

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	1.336
2	F	-0.577
3	F	-0.577
4	H	-0.091
5	H	-0.091

	x	y	z	Total
	0.000	0.000	1.637	1.637
CHELPG
AIM
ESP

<r²>	58.578
(<r²>)^1/2	7.654

All results from a given calculation for SiH2F2 (difluorosilane)

using model chemistry: B2PLYP/aug-cc-pVTZ

States and conformations

All results from a given calculation for SiH₂F₂ (difluorosilane)