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	hartrees
Energy at 0K	-490.590653
Energy at 298.15K
HF Energy	-490.590653
Nuclear repulsion energy	117.153790

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	2224	2224	53.44	195.04	0.09	0.16
2	A₁	960	960	113.42	8.91	0.71	0.83
3	A₁	820	820	67.29	5.94	0.13	0.23
4	A₁	303	303	15.35	0.77	0.73	0.84
5	A₂	709	709	0.00	10.77	0.75	0.86
6	B₁	2239	2239	146.49	37.03	0.75	0.86
7	B₁	689	689	116.04	4.59	0.75	0.86
8	B₂	942	942	273.13	0.40	0.75	0.86
9	B₂	863	863	4.88	6.10	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
Si1	0.000	0.000	0.453
F2	0.000	1.304	-0.491
F3	0.000	-1.304	-0.491
H4	1.245	0.000	1.249
H5	-1.245	0.000	1.249

	Si1	F2	F3	H4	H5
Si1		1.6092	1.6092	1.4776	1.4776
F2	1.6092		2.6073	2.5051	2.5051
F3	1.6092	2.6073		2.5051	2.5051
H4	1.4776	2.5051	2.5051		2.4893
H5	1.4776	2.5051	2.5051	2.4893

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F2	Si1	F3	108.218	F2	Si1	H4	108.420
F2	Si1	H5	108.420	F3	Si1	H4	108.420
F3	Si1	H5	108.420	H4	Si1	H5	114.772

All results from a given calculation for SiH₂F₂ (difluorosilane)

using model chemistry: BLYP/Def2TZVPP

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	0.740
2	F	-0.294
3	F	-0.294
4	H	-0.076
5	H	-0.076

	x	y	z	Total
	0.000	0.000	1.477	1.477
CHELPG
AIM
ESP

<r²>	59.235
(<r²>)^1/2	7.696

All results from a given calculation for SiH2F2 (difluorosilane)

using model chemistry: BLYP/Def2TZVPP

States and conformations

All results from a given calculation for SiH₂F₂ (difluorosilane)