8
 i =      76, E =      -14.9518421887
  C         6.7713019119        5.9963482236        5.9999305287
  C         5.2296433443        6.0033677689        6.0065640271
  H         4.8226439717        6.0198987997        7.0258669051
  H         4.8144385670        5.1135492476        5.5115353199
  H         4.8205805610        6.8779314573        5.4838302216
  H         7.1765327350        5.1402836770        5.4459664211
  H         7.1832404413        6.9024073310        5.5339472993
  H         7.1852801526        5.9447026992        7.0166786010