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State	Conformation	minimum conformation	conformer description	state description
1	1	yes	C2V	¹A₁
2	1	yes	C2V	³B₁

	hartrees
Energy at 0K	-488.463127
Energy at 298.15K	-488.343465
HF Energy	-487.901742
Nuclear repulsion energy	100.801758

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	881	835	108.81
2	A₁	348	330	17.90
3	B₂	911	863	138.90

Atom	y (Å)	z (Å)
Si1	0.000	0.570
F2	1.235	-0.443
F3	-1.235	-0.443

	Si1	F2	F3
Si1		1.5974	1.5974
F2	1.5974		2.4709
F3	1.5974	2.4709

All results from a given calculation for SiF₂ (Silicon difluoride)

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

States and conformations

State 1 (¹A₁)

State 2 (³B₁)

	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
You are here: Calculated > Energy > Optimized > Energy

	hartrees
Energy at 0K	-488.346270
Energy at 298.15K	-488.226529
HF Energy	-487.818119
Nuclear repulsion energy	99.439158

All results from a given calculation for SiF2 (Silicon difluoride)

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

States and conformations

State 1 (1A1)

State 2 (3B1)

All results from a given calculation for SiF₂ (Silicon difluoride)

State 1 (¹A₁)

State 2 (³B₁)