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	hartrees
Energy at 0K	-490.401090
Energy at 298.15K
HF Energy	-490.401090
Nuclear repulsion energy	119.087807

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	2332	2221	56.21	119.30	0.10	0.17
2	A₁	1003	955	139.63	9.25	0.63	0.77
3	A₁	895	853	46.91	4.44	0.16	0.28
4	A₁	325	310	16.95	0.41	0.74	0.85
5	A₂	742	707	0.00	8.58	0.75	0.86
6	B₁	2337	2226	140.96	25.38	0.75	0.86
7	B₁	722	688	134.06	3.71	0.75	0.86
8	B₂	1021	973	269.97	0.04	0.75	0.86
9	B₂	920	876	7.62	4.85	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
Si1	0.000	0.000	0.446
F2	0.000	1.278	-0.485
F3	0.000	-1.278	-0.485
H4	1.233	0.000	1.245
H5	-1.233	0.000	1.245

	Si1	F2	F3	H4	H5
Si1		1.5813	1.5813	1.4688	1.4688
F2	1.5813		2.5559	2.4791	2.4791
F3	1.5813	2.5559		2.4791	2.4791
H4	1.4688	2.4791	2.4791		2.4651
H5	1.4688	2.4791	2.4791	2.4651

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F2	Si1	F3	107.835	F2	Si1	H4	108.682
F2	Si1	H5	108.682	F3	Si1	H4	108.682
F3	Si1	H5	108.682	H4	Si1	H5	114.103

All results from a given calculation for SiH₂F₂ (difluorosilane)

using model chemistry: M06-2X/6-31G(2df,p)

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	0.484
2	F	-0.232
3	F	-0.232
4	H	-0.010
5	H	-0.010

	x	y	z	Total
	0.000	0.000	1.336	1.336
CHELPG
AIM
ESP

<r²>	57.223
(<r²>)^1/2	7.565

All results from a given calculation for SiH2F2 (difluorosilane)

using model chemistry: M06-2X/6-31G(2df,p)

States and conformations

All results from a given calculation for SiH₂F₂ (difluorosilane)