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	hartrees
Energy at 0K	-490.244522
Energy at 298.15K
HF Energy	-490.244522
Nuclear repulsion energy	117.115800

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	2218	2200	49.08	209.40	0.08	0.14
2	A₁	941	934	103.71	6.74	0.72	0.84
3	A₁	813	806	65.24	7.96	0.10	0.18
4	A₁	300	298	14.71	0.71	0.73	0.84
5	A₂	695	689	0.00	8.43	0.75	0.86
6	B₁	2235	2216	127.99	37.39	0.75	0.86
7	B₁	676	671	104.28	3.62	0.75	0.86
8	B₂	926	919	259.81	0.00	0.75	0.86
9	B₂	852	845	1.40	5.27	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
Si1	0.000	0.000	0.452
F2	0.000	1.304	-0.490
F3	0.000	-1.304	-0.490
H4	1.252	0.000	1.247
H5	-1.252	0.000	1.247

	Si1	F2	F3	H4	H5
Si1		1.6090	1.6090	1.4829	1.4829
F2	1.6090		2.6082	2.5072	2.5072
F3	1.6090	2.6082		2.5072	2.5072
H4	1.4829	2.5072	2.5072		2.5038
H5	1.4829	2.5072	2.5072	2.5038

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F2	Si1	F3	108.290	F2	Si1	H4	108.297
F2	Si1	H5	108.297	F3	Si1	H4	108.297
F3	Si1	H5	108.297	H4	Si1	H5	115.179

All results from a given calculation for SiH₂F₂ (difluorosilane)

using model chemistry: PBEPBE/6-311+G(3df,2p)

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	0.897
2	F	-0.385
3	F	-0.385
4	H	-0.064
5	H	-0.064

	x	y	z	Total
	0.000	0.000	1.506	1.506
CHELPG
AIM
ESP

<r²>	59.234
(<r²>)^1/2	7.696

All results from a given calculation for SiH2F2 (difluorosilane)

using model chemistry: PBEPBE/6-311+G(3df,2p)

States and conformations

All results from a given calculation for SiH₂F₂ (difluorosilane)