Ca  H  O 
 1.0000000000000000
     6.1888822516535704    0.0000000000000000    0.0000000000000000
    -0.0000000289749140    3.5731531317701202    0.0000000000000000
     0.0000024478628404   -0.0000000323546267    4.8921740401277596
 Ca  H   O  
   2   4   4
Cartesian
  6.1888789276066252  3.5731286744880175  0.0000000022021922
  3.0944378165184601  1.7865512899988343 -0.0000000011695920
  1.0314771023025426  1.7865524135856510  2.1301177968357234
  2.0629598104606872  3.5731275155296069  2.7620562416366661
  4.1259182061728996  3.5731275430168905  2.1301178001504990
  5.1574009485752157  1.7865523971455497  2.7620562414647356
  1.0314769775311903  1.7865521062421235  1.2152449122692461
  2.0629599645131087  3.5731278261887418  3.6769291265509234
  4.1259180868605823  3.5731278621690055  1.2152449156576293
  5.1574011032913321  1.7865520704662909  3.6769291265644797