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	hartrees
Energy at 0K	-487.485072
Energy at 298.15K
HF Energy	-487.485072
Nuclear repulsion energy	114.232235

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	2208	2188	86.75	156.80	0.10	0.18
2	A₁	910	902	144.31	26.15	0.54	0.70
3	A₁	827	820	4.40	10.14	0.37	0.54
4	A₁	311	309	15.79	1.47	0.75	0.85
5	A₂	733	727	0.00	21.24	0.75	0.86
6	B₁	2216	2196	210.60	50.16	0.75	0.86
7	B₁	700	693	118.46	8.60	0.75	0.86
8	B₂	1023	1014	216.03	5.71	0.75	0.86
9	B₂	887	879	0.19	9.85	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
Si1	0.000	0.000	0.484
F2	0.000	1.316	-0.523
F3	0.000	-1.316	-0.523
H4	1.245	0.000	1.320
H5	-1.245	0.000	1.320

	Si1	F2	F3	H4	H5
Si1		1.6569	1.6569	1.4995	1.4995
F2	1.6569		2.6325	2.5840	2.5840
F3	1.6569	2.6325		2.5840	2.5840
H4	1.4995	2.5840	2.5840		2.4893
H5	1.4995	2.5840	2.5840	2.4893

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F2	Si1	F3	105.199	F2	Si1	H4	109.801
F2	Si1	H5	109.801	F3	Si1	H4	109.801
F3	Si1	H5	109.801	H4	Si1	H5	112.203

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	0.985
2	F	-0.336
3	F	-0.336
4	H	-0.156
5	H	-0.156

	x	y	z	Total
	0.000	0.000	1.711	1.711
CHELPG
AIM
ESP

<r²>	61.246
(<r²>)^1/2	7.826

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)