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	hartrees
Energy at 0K	-489.228410
Energy at 298.15K
HF Energy	-489.228410
Nuclear repulsion energy	120.338367

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	2399	2179	64.41	198.32	0.05	0.10
2	A₁	1065	967	150.03	3.22	0.74	0.85
3	A₁	930	845	88.69	3.59	0.11	0.20
4	A₁	347	315	22.54	0.21	0.72	0.84
5	A₂	795	722	0.00	4.88	0.75	0.86
6	B₁	2394	2175	170.26	25.15	0.75	0.86
7	B₁	767	697	169.00	1.59	0.75	0.86
8	B₂	1049	953	349.24	0.02	0.75	0.86
9	B₂	970	881	1.74	2.73	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
Si1	0.000	0.000	0.443
F2	0.000	1.261	-0.483
F3	0.000	-1.261	-0.483
H4	1.225	0.000	1.241
H5	-1.225	0.000	1.241

	Si1	F2	F3	H4	H5
Si1		1.5643	1.5643	1.4618	1.4618
F2	1.5643		2.5212	2.4620	2.4620
F3	1.5643	2.5212		2.4620	2.4620
H4	1.4618	2.4620	2.4620		2.4498
H5	1.4618	2.4620	2.4620	2.4498

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F2	Si1	F3	107.388	F2	Si1	H4	108.852
F2	Si1	H5	108.852	F3	Si1	H4	108.852
F3	Si1	H5	108.852	H4	Si1	H5	113.851

All results from a given calculation for SiH₂F₂ (difluorosilane)

using model chemistry: HF/aug-cc-pVQZ

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	1.619
2	F	-0.643
3	F	-0.643
4	H	-0.166
5	H	-0.166

	x	y	z	Total
	0.000	0.000	1.591	1.591
CHELPG
AIM
ESP

<r²>	56.677
(<r²>)^1/2	7.528

All results from a given calculation for SiH2F2 (difluorosilane)

using model chemistry: HF/aug-cc-pVQZ

States and conformations

All results from a given calculation for SiH₂F₂ (difluorosilane)