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	hartrees
Energy at 0K	-489.026125
Energy at 298.15K
HF Energy	-489.026125
Nuclear repulsion energy	114.237383

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	2425	2184	62.74	173.37	0.10	0.18
2	A₁	1044	940	201.50	24.43	0.71	0.83
3	A₁	825	743	88.51	4.96	0.12	0.22
4	A₁	296	267	35.45	1.16	0.75	0.86
5	A₂	759	683	0.00	23.74	0.75	0.86
6	B₁	2439	2196	142.40	34.65	0.75	0.86
7	B₁	736	663	197.09	7.77	0.75	0.86
8	B₂	1007	907	376.97	10.59	0.75	0.86
9	B₂	882	794	44.03	6.96	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
Si1	0.000	0.000	0.485
F2	0.000	1.327	-0.516
F3	0.000	-1.327	-0.516
H4	1.243	0.000	1.249
H5	-1.243	0.000	1.249

	Si1	F2	F3	H4	H5
Si1		1.6626	1.6626	1.4593	1.4593
F2	1.6626		2.6546	2.5346	2.5346
F3	1.6626	2.6546		2.5346	2.5346
H4	1.4593	2.5346	2.5346		2.4864
H5	1.4593	2.5346	2.5346	2.4864

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F2	Si1	F3	105.942	F2	Si1	H4	108.382
F2	Si1	H5	108.382	F3	Si1	H4	108.382
F3	Si1	H5	108.382	H4	Si1	H5	116.844

All results from a given calculation for SiH₂F₂ (difluorosilane)

using model chemistry: HF/SDD

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	1.625
2	F	-0.628
3	F	-0.628
4	H	-0.184
5	H	-0.184

	x	y	z	Total
	0.000	0.000	3.387	3.387
CHELPG
AIM
ESP

<r²>	62.119
(<r²>)^1/2	7.882

All results from a given calculation for SiH2F2 (difluorosilane)

using model chemistry: HF/SDD

States and conformations

All results from a given calculation for SiH₂F₂ (difluorosilane)