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  • My Database 032311 (Compressed tar.gz file)
    Is a database of experimental and optimized geometries I have collected from my scientific research, and I want to share.
    I will keep adding more geometries of published papers. Please feel free to use these data.

    The geometries are given in xyz (Cartesian coordinates), and/or zmat (Zmatrix internal coodinates).
    I have addopted the following symbols for naming the files:
    n, c, a stand for neutral, anionic and cationic molecules respectively.
    S1, S2, S3, etc. stand for the molecular spin multiplicity (Singlet, Doublet, Triplet, etc.).
    EX, EX1, EX2, etc. stand for excited isomers whenever they exist.