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	hartrees
Energy at 0K	-490.630358
Energy at 298.15K
HF Energy	-490.630358
Nuclear repulsion energy	118.404434

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	2285	2285	53.29	216.35	0.06	0.12
2	A₁	986	986	117.42	4.55	0.71	0.83
3	A₁	852	852	74.59	6.44	0.09	0.17
4	A₁	313	313	17.25	0.46	0.72	0.83
5	A₂	734	734	0.00	6.43	0.75	0.86
6	B₁	2296	2296	139.99	32.36	0.75	0.86
7	B₁	711	711	123.76	2.38	0.75	0.86
8	B₂	968	968	288.82	0.00	0.75	0.86
9	B₂	894	894	4.09	3.91	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
Si1	0.000	0.000	0.449
F2	0.000	1.287	-0.487
F3	0.000	-1.287	-0.487
H4	1.236	0.000	1.242
H5	-1.236	0.000	1.242

	Si1	F2	F3	H4	H5
Si1		1.5917	1.5917	1.4685	1.4685
F2	1.5917		2.5738	2.4850	2.4850
F3	1.5917	2.5738		2.4850	2.4850
H4	1.4685	2.4850	2.4850		2.4722
H5	1.4685	2.4850	2.4850	2.4722

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F2	Si1	F3	107.898	F2	Si1	H4	108.525
F2	Si1	H5	108.525	F3	Si1	H4	108.525
F3	Si1	H5	108.525	H4	Si1	H5	114.650

All results from a given calculation for SiH₂F₂ (difluorosilane)

using model chemistry: B3LYPultrafine/aug-cc-pV(T+d)Z

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	1.594
2	F	-0.629
3	F	-0.629
4	H	-0.168
5	H	-0.168

	x	y	z	Total
	0.000	0.000	1.560	1.560
CHELPG
AIM
ESP

<r²>	58.246
(<r²>)^1/2	7.632

All results from a given calculation for SiH2F2 (difluorosilane)

using model chemistry: B3LYPultrafine/aug-cc-pV(T+d)Z

States and conformations

All results from a given calculation for SiH₂F₂ (difluorosilane)