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	hartrees
Energy at 0K	-490.346161
Energy at 298.15K
HF Energy	-490.346161
Nuclear repulsion energy	112.880479

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	2269	2164	70.86	181.00	0.11	0.20
2	A₁	933	890	144.93	26.57	0.65	0.79
3	A₁	791	755	33.81	7.68	0.19	0.32
4	A₁	272	259	24.35	1.67	0.75	0.86
5	A₂	694	662	0.00	23.48	0.75	0.86
6	B₁	2296	2190	166.13	53.70	0.75	0.86
7	B₁	675	644	124.61	10.25	0.75	0.86
8	B₂	963	918	246.48	5.95	0.75	0.86
9	B₂	851	811	1.69	10.87	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
Si1	0.000	0.000	0.484
F2	0.000	1.348	-0.518
F3	0.000	-1.348	-0.518
H4	1.258	0.000	1.273
H5	-1.258	0.000	1.273

	Si1	F2	F3	H4	H5
Si1		1.6796	1.6796	1.4858	1.4858
F2	1.6796		2.6969	2.5711	2.5711
F3	1.6796	2.6969		2.5711	2.5711
H4	1.4858	2.5711	2.5711		2.5170
H5	1.4858	2.5711	2.5711	2.5170

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F2	Si1	F3	106.804	F2	Si1	H4	108.476
F2	Si1	H5	108.476	F3	Si1	H4	108.476
F3	Si1	H5	108.476	H4	Si1	H5	115.778

All results from a given calculation for SiH₂F₂ (difluorosilane)

using model chemistry: B1B95/6-31G

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	1.176
2	F	-0.465
3	F	-0.465
4	H	-0.123
5	H	-0.123

	x	y	z	Total
	0.000	0.000	2.823	2.823
CHELPG
AIM
ESP

<r²>	62.724
(<r²>)^1/2	7.920

All results from a given calculation for SiH2F2 (difluorosilane)

using model chemistry: B1B95/6-31G

States and conformations

All results from a given calculation for SiH₂F₂ (difluorosilane)