Submit (Guided) Submit Your Own Files Results

Choose your Molecule

You can draw your molecule in 2D or use the following options:

3D Panel

(Several times may be needed)

Set Parameters for Quantum Mechanical Calculation

Set Parameters

Select your package:
help
help
help
help
help
Type:
Help on Type of Calculation
Add-Ons:
Help on Addons
Basis Set:
Help on Basis Set
MO Method: Molecular Orbital Method:
Help on RHF vs UHF
DFT: DFT Functional:
help on DFT
PCM Solvent:
Help on Solvent
Cluster: Computer Cluster:
Help on computer cluster
Cores: Processor Cores:
help on cores
Memory (Optional / Advanced): Memory (Advanced):
help on Memory
Time Limit:
help on time limit

You may edit the data in the box below. Do not make changes to the atoms in any way if using symmetry. Use Manually alter coordinates instead.