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	hartrees
Energy at 0K	-490.442736
Energy at 298.15K
HF Energy	-490.188695
Nuclear repulsion energy	118.679915

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	2326	2326	55.66	181.84	0.08	0.15
2	A₁	1004	1004	129.08	7.45	0.71	0.83
3	A₁	868	868	71.20	5.01	0.14	0.25
4	A₁	319	319	17.88	0.62	0.73	0.84
5	A₂	743	743	0.00	9.08	0.75	0.86
6	B₁	2336	2336	146.72	32.89	0.75	0.86
7	B₁	719	719	134.98	3.61	0.75	0.86
8	B₂	989	989	305.95	0.22	0.75	0.86
9	B₂	910	910	0.65	5.49	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
Si1	0.000	0.000	0.447
F2	0.000	1.285	-0.486
F3	0.000	-1.285	-0.486
H4	1.231	0.000	1.240
H5	-1.231	0.000	1.240

	Si1	F2	F3	H4	H5
Si1		1.5880	1.5880	1.4638	1.4638
F2	1.5880		2.5697	2.4785	2.4785
F3	1.5880	2.5697		2.4785	2.4785
H4	1.4638	2.4785	2.4785		2.4620
H5	1.4638	2.4785	2.4785	2.4620

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F2	Si1	F3	108.014	F2	Si1	H4	108.542
F2	Si1	H5	108.542	F3	Si1	H4	108.542
F3	Si1	H5	108.542	H4	Si1	H5	114.484

All results from a given calculation for SiH₂F₂ (difluorosilane)

using model chemistry: B2PLYP=FULLultrafine/Def2TZVPP

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/Def2TZVPP

States and conformations

All results from a given calculation for SiH₂F₂ (difluorosilane)