Geometry Optimization Results
RestrictedHF/STO-3G — 8 optimization steps
Method
RestrictedHF
Basis Set
STO-3G
Steps
8
Initial Energy
-76.88327569 Eh
Final Energy
-77.07395445 Eh
Energy Change
-0.19067876 Eh
Final Max Gradient
9.58e-05 Å
Energy Convergence
Molecular Structure: Before & After
Initial Geometry (Step 0)
Optimized Geometry (Step 7)