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All results from a given calculation for SiCl2 (Dichlorosilylene)

using model chemistry: MP2/6-31+G**

19 10 17 12 22

States and conformations

State Conformation minimum conformation conformer description state description
1 1 yes C2V 1A1
Energy calculated at MP2/6-31+G**
 hartrees
Energy at 0K-1208.275575
Energy at 298.15K 
HF Energy-1207.944913
Nuclear repulsion energy168.834591
The energy at 298.15K was derived from the energy at 0K and an integrated heat capacity that used the calculated vibrational frequencies.
Vibrational Frequencies calculated at MP2/6-31+G**
Rotational Constants (cm-1) from geometry optimized at MP2/6-31+G**
ABC
0.49069 0.09303 0.07821

See section I.F.4 to change rotational constant units
Geometric Data calculated at MP2/6-31+G**

Point Group is C2v

Cartesians (Å)
Atom x (Å) y (Å) z (Å)
Si1 0.000 0.000 0.929
Cl2 0.000 1.610 -0.382
Cl3 0.000 -1.610 -0.382

Atom - Atom Distances (Å)
  Si1 Cl2 Cl3
Si12.07612.0761
Cl22.07613.2193
Cl32.07613.2193

picture of Dichlorosilylene state 1 conformation 1
More geometry information
Calculated Bond Angles
atom1 atom2 atom3 angle atom1 atom2 atom3 angle
Cl2 Si1 Cl3 101.669
Electronic energy levels

Electronic state

Charges, Dipole, Quadrupole and Polarizability