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	hartrees
Energy at 0K	-487.521695
Energy at 298.15K
HF Energy	-487.424594
Nuclear repulsion energy	115.552145

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	2322	2322	88.28	147.73	0.10	0.18
2	A₁	967	967	198.05	27.91	0.57	0.73
3	A₁	872	872	6.21	9.80	0.37	0.54
4	A₁	326	326	22.61	1.33	0.75	0.86
5	A₂	770	770	0.00	21.77	0.75	0.86
6	B₁	2326	2326	207.63	45.14	0.75	0.86
7	B₁	740	740	167.43	7.95	0.75	0.86
8	B₂	1079	1079	301.68	6.49	0.75	0.86
9	B₂	936	936	1.04	10.22	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
Si1	0.000	0.000	0.478
F2	0.000	1.303	-0.516
F3	0.000	-1.303	-0.516
H4	1.229	0.000	1.300
H5	-1.229	0.000	1.300

	Si1	F2	F3	H4	H5
Si1		1.6383	1.6383	1.4787	1.4787
F2	1.6383		2.6057	2.5502	2.5502
F3	1.6383	2.6057		2.5502	2.5502
H4	1.4787	2.5502	2.5502		2.4582
H5	1.4787	2.5502	2.5502	2.4582

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F2	Si1	F3	105.354	F2	Si1	H4	109.699
F2	Si1	H5	109.699	F3	Si1	H4	109.699
F3	Si1	H5	109.699	H4	Si1	H5	112.448

All results from a given calculation for SiH₂F₂ (difluorosilane)

using model chemistry: B2PLYP/3-21G

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	1.233
2	F	-0.408
3	F	-0.408
4	H	-0.208
5	H	-0.208

	x	y	z	Total
	0.000	0.000	1.982	1.982
CHELPG
AIM
ESP

<r²>	60.344
(<r²>)^1/2	7.768

All results from a given calculation for SiH2F2 (difluorosilane)

using model chemistry: B2PLYP/3-21G

States and conformations

All results from a given calculation for SiH₂F₂ (difluorosilane)