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	hartrees
Energy at 0K	-490.572693
Energy at 298.15K
HF Energy	-490.572693
Nuclear repulsion energy	116.586176

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	2221	2214	54.08	200.27	0.09	0.17
2	A₁	952	950	112.35	8.97	0.71	0.83
3	A₁	816	813	63.32	5.89	0.13	0.23
4	A₁	300	299	14.89	0.73	0.73	0.85
5	A₂	706	704	0.00	11.83	0.75	0.86
6	B₁	2237	2231	149.27	38.28	0.75	0.86
7	B₁	688	686	116.10	5.05	0.75	0.86
8	B₂	939	937	262.71	0.52	0.75	0.86
9	B₂	859	857	3.93	6.14	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
Si1	0.000	0.000	0.457
F2	0.000	1.309	-0.494
F3	0.000	-1.309	-0.494
H4	1.248	0.000	1.253
H5	-1.248	0.000	1.253

	Si1	F2	F3	H4	H5
Si1		1.6179	1.6179	1.4808	1.4808
F2	1.6179		2.6181	2.5151	2.5151
F3	1.6179	2.6181		2.5151	2.5151
H4	1.4808	2.5151	2.5151		2.4964
H5	1.4808	2.5151	2.5151	2.4964

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F2	Si1	F3	108.013	F2	Si1	H4	108.432
F2	Si1	H5	108.432	F3	Si1	H4	108.432
F3	Si1	H5	108.432	H4	Si1	H5	114.903

All results from a given calculation for SiH₂F₂ (difluorosilane)

using model chemistry: BLYP/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	0.663
2	F	-0.267
3	F	-0.267
4	H	-0.065
5	H	-0.065

	x	y	z	Total
	0.000	0.000	1.455	1.455
CHELPG
AIM
ESP

<r²>	59.587
(<r²>)^1/2	7.719

All results from a given calculation for SiH2F2 (difluorosilane)

using model chemistry: BLYP/cc-pVTZ

States and conformations

All results from a given calculation for SiH₂F₂ (difluorosilane)