8
 i =       12, E =       -14.9518242480
  C         6.7709731556        5.9999999991        6.2147000005
  C         5.2290258859        6.0000000007        6.2147000001
  H         4.8193442852        6.0000000005        5.1955521086
  H         4.8183461262        6.8823861870        6.7231540475
  H         4.8183461248        5.1176138164        6.7231540484
  H         7.1806551657        5.9999999994        5.1955522543
  H         7.1816533264        6.8823860579        6.7231539750
  H         7.1816533250        5.1176139384        6.7231539741