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Properties Estimation

Polymer

Molecular Orbital

Material Design

Chemical Engineering

ChemNeuro
(Japanese only)

Trouble Shooting

Please drop only atomic part of MOPAC XYZ file. H,Li-F, Na-Cl Atom.

Cntl+Drag Rotate, Shift+Drag Mag, Cntl+shift+drag Rotate Z

Ex. Acetone ( Please copy and paste to above Text Area )

C 0.000000 1 0.000000 1 0.000000 1
H -0.367700 1 1.027700 1 0.000000 1
H -0.367700 1 -0.513800 1 -0.890000 1
H -0.367700 1 -0.513800 1 0.890000 1
C 1.340000 1 0.000002 1 0.000000 1
C 2.050003 1 1.229756 1 0.000000 1
H 3.123867 1 1.034341 1 0.000000 1
H 1.788891 1 1.805094 1 -0.890000 1
H 1.788891 1 1.805094 1 0.890000 1
O 1.940006 1 -1.039225 1 0.000000 1

(No space, no Tab and no Return at the end of file)