Atom      QA       DA(alpha)   DA(beta)    DA(total)
    1      1.0000      2.2238      2.6173      2.3812
    1      1.3294      1.9996      1.9996      1.9996
    2     -0.1098      2.2233      2.2233      2.2233
    3     -0.1098      2.2233      2.2233      2.2233
    4     -0.1098      2.2233      2.2233      2.2233