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	hartrees
Energy at 0K	-490.389459
Energy at 298.15K
HF Energy	-490.389459
Nuclear repulsion energy	117.832350

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	2219	2219	61.45	140.17	0.10	0.19
2	A₁	969	969	120.75	10.48	0.63	0.78
3	A₁	836	836	45.82	5.82	0.12	0.22
4	A₁	313	313	13.57	0.55	0.73	0.85
5	A₂	718	718	0.00	9.11	0.75	0.86
6	B₁	2226	2226	160.17	33.39	0.75	0.86
7	B₁	698	698	111.10	4.08	0.75	0.86
8	B₂	977	977	249.44	0.24	0.75	0.86
9	B₂	876	876	0.02	5.32	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
Si1	0.000	0.000	0.447
F2	0.000	1.296	-0.487
F3	0.000	-1.296	-0.487
H4	1.243	0.000	1.254
H5	-1.243	0.000	1.254

	Si1	F2	F3	H4	H5
Si1		1.5975	1.5975	1.4824	1.4824
F2	1.5975		2.5923	2.5015	2.5015
F3	1.5975	2.5923		2.5015	2.5015
H4	1.4824	2.5015	2.5015		2.4864
H5	1.4824	2.5015	2.5015	2.4864

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F2	Si1	F3	108.454	F2	Si1	H4	108.566
F2	Si1	H5	108.566	F3	Si1	H4	108.566
F3	Si1	H5	108.566	H4	Si1	H5	113.997

All results from a given calculation for SiH₂F₂ (difluorosilane)

using model chemistry: B97D3/6-31G(2df,p)

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	0.379
2	F	-0.188
3	F	-0.188
4	H	-0.001
5	H	-0.001

	x	y	z	Total
	0.000	0.000	1.196	1.196
CHELPG
AIM
ESP

<r²>	58.204
(<r²>)^1/2	7.629

All results from a given calculation for SiH2F2 (difluorosilane)

using model chemistry: B97D3/6-31G(2df,p)

States and conformations

All results from a given calculation for SiH₂F₂ (difluorosilane)