       4
 i =        1, E =      -240.1677888951
 Mn         0.0000000391       -0.0000001249        0.0000010927
 Mn         1.5981627545        0.9222970891        2.5627719852
  O         3.1957157610        1.8448955112        1.2808952881
  O         3.1960188796       -0.0003014663        3.8446519660
       4
 i =        2, E =      -240.1643372228
 Mn         0.0000013752       -0.0000042633        0.0000107005
 Mn         1.5877085986        0.9091031754        2.5559576465
  O         3.1664618669        1.8240057614        1.2663567064
  O         3.1734130491       -0.0058021618        3.8455494903
       4
 i =        3, E =      -240.0956047561
 Mn         0.0000017196       -0.0000015982        0.0000181156
 Mn         1.5949026153        0.9182043813        2.5606134024
  O         3.1862659626        1.8383764641        1.2771295457
  O         3.1891549896       -0.0019642081        3.8441046146
       4
 i =        4, E =      -240.1707451159
 Mn        -0.0001410880       -0.0002733120       -0.0004705611
 Mn         1.5871893925        0.9406584472        2.5117140481
  O         3.1805921253        1.8532226602        1.4964116798
  O         3.2072958658        0.0273166826        3.5239812460
