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	hartrees
Energy at 0K	-490.599711
Energy at 298.15K
HF Energy	-490.599711
Nuclear repulsion energy	118.077487

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	2306	2306	52.89	190.85	0.07	0.13
2	A₁	986	986	115.01	5.65	0.73	0.85
3	A₁	843	843	69.50	6.72	0.10	0.18
4	A₁	310	310	16.09	0.59	0.73	0.84
5	A₂	728	728	0.00	7.03	0.75	0.86
6	B₁	2317	2317	132.71	33.11	0.75	0.86
7	B₁	702	702	115.84	2.89	0.75	0.86
8	B₂	964	964	281.35	0.01	0.75	0.86
9	B₂	886	886	3.69	4.44	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
Si1	0.000	0.000	0.450
F2	0.000	1.292	-0.488
F3	0.000	-1.292	-0.488
H4	1.238	0.000	1.241
H5	-1.238	0.000	1.241

	Si1	F2	F3	H4	H5
Si1		1.5964	1.5964	1.4691	1.4691
F2	1.5964		2.5840	2.4882	2.4882
F3	1.5964	2.5840		2.4882	2.4882
H4	1.4691	2.4882	2.4882		2.4752
H5	1.4691	2.4882	2.4882	2.4752

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F2	Si1	F3	108.062	F2	Si1	H4	108.448
F2	Si1	H5	108.448	F3	Si1	H4	108.448
F3	Si1	H5	108.448	H4	Si1	H5	114.800

All results from a given calculation for SiH₂F₂ (difluorosilane)

using model chemistry: TPSSh/6-311+G(3df,2p)

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	1.003
2	F	-0.406
3	F	-0.406
4	H	-0.096
5	H	-0.096

	x	y	z	Total
	0.000	0.000	1.496	1.496
CHELPG
AIM
ESP

<r²>	58.347
(<r²>)^1/2	7.639

All results from a given calculation for SiH2F2 (difluorosilane)

using model chemistry: TPSSh/6-311+G(3df,2p)

States and conformations

All results from a given calculation for SiH₂F₂ (difluorosilane)