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	hartrees
Energy at 0K	-490.314757
Energy at 298.15K
HF Energy	-490.314757
Nuclear repulsion energy	118.116819

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	2284	2284	50.81	217.84	0.06	0.12
2	A₁	970	970	114.24	4.43	0.70	0.82
3	A₁	857	857	71.43	6.76	0.09	0.17
4	A₁	309	309	17.36	0.43	0.72	0.84
5	A₂	723	723	0.00	6.58	0.75	0.86
6	B₁	2298	2298	130.05	32.47	0.75	0.86
7	B₁	706	706	122.06	2.34	0.75	0.86
8	B₂	963	963	282.95	0.06	0.75	0.86
9	B₂	892	892	0.00	3.86	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
Si1	0.000	0.000	0.451
F2	0.000	1.288	-0.489
F3	0.000	-1.288	-0.489
H4	1.243	0.000	1.246
H5	-1.243	0.000	1.246

	Si1	F2	F3	H4	H5
Si1		1.5953	1.5953	1.4757	1.4757
F2	1.5953		2.5768	2.4938	2.4938
F3	1.5953	2.5768		2.4938	2.4938
H4	1.4757	2.4938	2.4938		2.4864
H5	1.4757	2.4938	2.4938	2.4864

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F2	Si1	F3	107.729	F2	Si1	H4	108.526
F2	Si1	H5	108.526	F3	Si1	H4	108.526
F3	Si1	H5	108.526	H4	Si1	H5	114.796

All results from a given calculation for SiH₂F₂ (difluorosilane)

using model chemistry: HSEh1PBE/daug-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	1.756
2	F	-0.835
3	F	-0.835
4	H	-0.043
5	H	-0.043

	x	y	z	Total
	0.000	0.000	1.601	1.601
CHELPG
AIM
ESP

<r²>	58.344
(<r²>)^1/2	7.638

All results from a given calculation for SiH2F2 (difluorosilane)

using model chemistry: HSEh1PBE/daug-cc-pVTZ

States and conformations

All results from a given calculation for SiH₂F₂ (difluorosilane)