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	hartrees
Energy at 0K	-490.194096
Energy at 298.15K
HF Energy	-490.050568
Nuclear repulsion energy	117.789068

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	2355	2234	76.69	136.63	0.11	0.19
2	A₁	1015	963	179.41	19.19	0.62	0.77
3	A₁	883	837	44.90	5.48	0.21	0.35
4	A₁	320	304	18.27	0.74	0.74	0.85
5	A₂	760	721	0.00	14.41	0.75	0.86
6	B₁	2365	2243	207.38	38.37	0.75	0.86
7	B₁	735	698	147.34	5.07	0.75	0.86
8	B₂	1049	995	337.37	2.57	0.75	0.86
9	B₂	929	881	0.12	9.04	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
Si1	0.000	0.000	0.449
F2	0.000	1.296	-0.489
F3	0.000	-1.296	-0.489
H4	1.233	0.000	1.257
H5	-1.233	0.000	1.257

	Si1	F2	F3	H4	H5
Si1		1.5998	1.5998	1.4737	1.4737
F2	1.5998		2.5913	2.4993	2.4993
F3	1.5998	2.5913		2.4993	2.4993
H4	1.4737	2.4993	2.4993		2.4653
H5	1.4737	2.4993	2.4993	2.4653

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F2	Si1	F3	108.171	F2	Si1	H4	108.752
F2	Si1	H5	108.752	F3	Si1	H4	108.752
F3	Si1	H5	108.752	H4	Si1	H5	113.534

All results from a given calculation for SiH₂F₂ (difluorosilane)

using model chemistry: B2PLYP=FULLultrafine/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	1.027
2	F	-0.398
3	F	-0.398
4	H	-0.116
5	H	-0.116

	x	y	z	Total
	0.000	0.000	1.497	1.497
CHELPG
AIM
ESP

<r²>	58.411
(<r²>)^1/2	7.643

All results from a given calculation for SiH2F2 (difluorosilane)

using model chemistry: B2PLYP=FULLultrafine/6-31G*

States and conformations

All results from a given calculation for SiH₂F₂ (difluorosilane)