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	hartrees
Energy at 0K	-487.665230
Energy at 298.15K
HF Energy	-487.561476
Nuclear repulsion energy	118.365016

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	2391	2391	75.93	117.56	0.11	0.19
2	A₁	1024	1024	211.99	17.62	0.53	0.69
3	A₁	931	931	6.97	7.24	0.49	0.65
4	A₁	342	342	19.75	0.83	0.75	0.86
5	A₂	794	794	0.00	14.24	0.75	0.86
6	B₁	2393	2393	200.66	32.20	0.75	0.86
7	B₁	763	763	167.18	5.24	0.75	0.86
8	B₂	1129	1129	315.43	2.00	0.75	0.86
9	B₂	972	972	10.60	9.26	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
Si1	0.000	0.000	0.453
F2	0.000	1.281	-0.494
F3	0.000	-1.281	-0.494
H4	1.224	0.000	1.271
H5	-1.224	0.000	1.271

	Si1	F2	F3	H4	H5
Si1		1.5927	1.5927	1.4715	1.4715
F2	1.5927		2.5617	2.4999	2.4999
F3	1.5927	2.5617		2.4999	2.4999
H4	1.4715	2.4999	2.4999		2.4470
H5	1.4715	2.4999	2.4999	2.4470

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F2	Si1	F3	107.066	F2	Si1	H4	109.280
F2	Si1	H5	109.280	F3	Si1	H4	109.280
F3	Si1	H5	109.280	H4	Si1	H5	112.506

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	0.907
2	F	-0.313
3	F	-0.313
4	H	-0.141
5	H	-0.141

	x	y	z	Total
	0.000	0.000	1.309	1.309
CHELPG
AIM
ESP

<r²>	57.859
(<r²>)^1/2	7.607

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)