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	hartrees
Energy at 0K	-487.614127
Energy at 298.15K
HF Energy	-487.614127
Nuclear repulsion energy	117.259856

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	2262	2157	71.42	129.22	0.11	0.20
2	A₁	967	922	169.69	17.28	0.46	0.63
3	A₁	884	843	2.18	8.91	0.52	0.69
4	A₁	325	310	14.58	0.92	0.75	0.86
5	A₂	752	717	0.00	14.70	0.75	0.86
6	B₁	2268	2162	196.88	35.62	0.75	0.86
7	B₁	724	690	127.42	5.94	0.75	0.86
8	B₂	1081	1031	241.39	1.47	0.75	0.86
9	B₂	922	879	8.80	9.67	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
Si1	0.000	0.000	0.456
F2	0.000	1.293	-0.497
F3	0.000	-1.293	-0.497
H4	1.241	0.000	1.285
H5	-1.241	0.000	1.285

	Si1	F2	F3	H4	H5
Si1		1.6066	1.6066	1.4919	1.4919
F2	1.6066		2.5865	2.5272	2.5272
F3	1.6066	2.5865		2.5272	2.5272
H4	1.4919	2.5272	2.5272		2.4811
H5	1.4919	2.5272	2.5272	2.4811

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F2	Si1	F3	107.214	F2	Si1	H4	109.243
F2	Si1	H5	109.243	F3	Si1	H4	109.243
F3	Si1	H5	109.243	H4	Si1	H5	112.513

All results from a given calculation for SiH₂F₂ (difluorosilane)

using model chemistry: PBEPBE/3-21G*

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	0.720
2	F	-0.256
3	F	-0.256
4	H	-0.104
5	H	-0.104

	x	y	z	Total
	0.000	0.000	1.126	1.126
CHELPG
AIM
ESP

<r²>	58.624
(<r²>)^1/2	7.657

All results from a given calculation for SiH2F2 (difluorosilane)

using model chemistry: PBEPBE/3-21G*

States and conformations

All results from a given calculation for SiH₂F₂ (difluorosilane)