Print details of the working in MOLSYM, the routine that works out the symmetry point-group of the molecule. Point-groups are identified using a set of 20 integers. These are 0 if the associated operation is absent, 1 if the operation is present. The operations are:

Operation Number |
Operation |

1 | C_{2}(X) |

2 | C_{2}(Y) |

3 | C_{2}(Z) |

4 | Σ(XY) |

5 | Σ(XZ) |

6 | Σ(YZ) |

7 | inversion |

8 | C_{3} |

9 | C_{4} |

10 | C_{3} |

11 | C_{6} |

12 | C_{3} |

13 | C_{8} |

14 | S_{4} |

15 | S_{6} |

16 | S_{8} |

17 | S_{10} |

18 | S_{12} |

19 | 1 if cubic |

20 | 1 if infinite |

Operation | 1 | 2 | 3 | 4 | 5 | 6 | 7 | 8 | 9 | 10 | 11 | 12 | 13 | 14 | 15 | 16 | 17 | 18 | 19 | 20 |

Value | 0 | 0 | 1 | 0 | 1 | 1 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 1 | 0 |

This indicates that operations C_{2}(Z), Σ(XZ),
Σ(YZ), C_{3}, and S_{4 }are present,
and that the system is cubic.

The pattern of operations is unique for each point-group, and is used by subroutine cartab to identify the point-group.