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	hartrees
Energy at 0K	-490.263878
Energy at 298.15K
HF Energy	-490.091222
Nuclear repulsion energy	115.607585

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	2312	2224	46.90	219.89	0.06	0.12
2	A₁	973	936	114.37	5.54	0.73	0.84
3	A₁	821	790	77.87	8.30	0.08	0.16
4	A₁	291	280	17.39	0.61	0.71	0.83
5	A₂	721	693	0.00	6.81	0.75	0.86
6	B₁	2332	2243	112.88	34.44	0.75	0.86
7	B₁	699	672	117.59	2.57	0.75	0.86
8	B₂	941	905	269.74	0.08	0.75	0.86
9	B₂	869	836	22.14	4.61	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
Si1	0.000	0.000	0.469
F2	0.000	1.316	-0.504
F3	0.000	-1.316	-0.504
H4	1.250	0.000	1.252
H5	-1.250	0.000	1.252

	Si1	F2	F3	H4	H5
Si1		1.6359	1.6359	1.4751	1.4751
F2	1.6359		2.6311	2.5251	2.5251
F3	1.6359	2.6311		2.5251	2.5251
H4	1.4751	2.5251	2.5251		2.4996
H5	1.4751	2.5251	2.5251	2.4996

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F2	Si1	F3	107.060	F2	Si1	H4	108.405
F2	Si1	H5	108.405	F3	Si1	H4	108.405
F3	Si1	H5	108.405	H4	Si1	H5	115.829

All results from a given calculation for SiH₂F₂ (difluorosilane)

using model chemistry: B2PLYP=FULL/aug-cc-pVDZ

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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All results from a given calculation for SiH2F2 (difluorosilane)

using model chemistry: B2PLYP=FULL/aug-cc-pVDZ

States and conformations

All results from a given calculation for SiH₂F₂ (difluorosilane)