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	hartrees
Energy at 0K	-490.040302
Energy at 298.15K
HF Energy	-489.937282
Nuclear repulsion energy	112.491968

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	2266	2266	74.28	178.79	0.11	0.19
2	A₁	949	949	163.55	27.34	0.66	0.80
3	A₁	785	785	34.30	8.44	0.16	0.28
4	A₁	276	276	25.37	1.75	0.75	0.86
5	A₂	703	703	0.00	23.72	0.75	0.86
6	B₁	2293	2293	172.06	53.18	0.75	0.86
7	B₁	684	684	136.30	10.25	0.75	0.86
8	B₂	975	975	270.17	7.70	0.75	0.86
9	B₂	850	850	4.07	10.34	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
Si1	0.000	0.000	0.484
F2	0.000	1.355	-0.518
F3	0.000	-1.355	-0.518
H4	1.258	0.000	1.277
H5	-1.258	0.000	1.277

	Si1	F2	F3	H4	H5
Si1		1.6856	1.6856	1.4874	1.4874
F2	1.6856		2.7103	2.5775	2.5775
F3	1.6856	2.7103		2.5775	2.5775
H4	1.4874	2.5775	2.5775		2.5168
H5	1.4874	2.5775	2.5775	2.5168

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F2	Si1	F3	107.024	F2	Si1	H4	108.485
F2	Si1	H5	108.485	F3	Si1	H4	108.485
F3	Si1	H5	108.485	H4	Si1	H5	115.560

All results from a given calculation for SiH₂F₂ (difluorosilane)

using model chemistry: B2PLYP/6-31G

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	1.259
2	F	-0.479
3	F	-0.479
4	H	-0.150
5	H	-0.150

	x	y	z	Total
	0.000	0.000	2.827	2.827
CHELPG
AIM
ESP

<r²>	63.315
(<r²>)^1/2	7.957

All results from a given calculation for SiH2F2 (difluorosilane)

using model chemistry: B2PLYP/6-31G

States and conformations

All results from a given calculation for SiH₂F₂ (difluorosilane)