=> Geometry <= 1 Cl 5.091 5.147 5.160 2 Cl 6.927 0.433 1.470 3 Cl 3.677 4.650 2.398 4 Cl 4.495 2.248 0.637 5 O 8.270 1.848 5.623 6 O 8.650 0.208 4.134 7 O 7.409 3.609 6.733 8 C 6.982 1.943 3.705 9 C 6.587 2.985 4.519 10 C 6.391 1.704 2.480 11 C 8.057 1.193 4.415 12 C 4.936 3.615 2.922 13 C 5.336 2.540 2.100 14 C 5.570 3.849 4.150 15 C 7.406 2.939 5.760 16 Cl 6.831 6.102 8.370 17 Cl 4.996 10.815 12.060 18 Cl 8.245 6.599 11.132 19 Cl 7.428 9.001 12.892 20 O 3.653 9.401 7.907 21 O 3.273 11.041 9.396 22 O 4.514 7.640 6.796 23 C 4.941 9.306 9.825 24 C 5.335 8.263 9.011 25 C 5.532 9.545 11.050 26 C 3.866 10.056 9.114 27 C 6.987 7.633 10.607 28 C 6.587 8.709 11.430 29 C 6.352 7.399 9.380 30 C 4.516 8.309 7.770 => Fragments <= Cl1: 16 O: 22 Ph: 17 18 19 20 21 23 24 25 26 27 28 29 30 => Links <= Link-1: 22 30 Link-2: 16 29 Link-3: 22 30 => Orbitals <= Cl1: 2 14 20 28 29 54 63 70 O: 6 50 62 Ph: 1 3 4 5 7 8 9 10 11 12 13 15 16 17 18 19 21 22 23 24 25 26 27 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 51 52 53 57 58 60 61 64 65 66 67 68 69 Link-1: 55 Link-2: 56 Link-3: 59 => Nuclear Weights <= Cl1: 16 ( 16.000) O: 22 ( 6.000) Ph: 17 ( 17.000) 18 ( 17.000) 19 ( 17.000) 20 ( 8.000) 21 ( 8.000) 23 ( 6.000) 24 ( 6.000) 25 ( 6.000) 26 ( 6.000) 27 ( 6.000) 28 ( 6.000) 29 ( 5.000) 30 ( 4.000) Link-1: 22 ( 1.000) 30 ( 1.000) Link-2: 16 ( 1.000) 29 ( 1.000) Link-3: 22 ( 1.000) 30 ( 1.000) => Charges <= Cl1: Z = 16.000, Y = 16.000, Q = 0.000 O: Z = 6.000, Y = 6.000, Q = 0.000 Ph: Z = 112.000, Y = 112.000, Q = 0.000 Link-1: Z = 2.000, Y = 2.000, Q = 0.000 Link-2: Z = 2.000, Y = 2.000, Q = 0.000 Link-3: Z = 2.000, Y = 2.000, Q = 0.000 => Orbital Check (Loss in Docc) <= Fragment: Cl1: 2: 0.000 14: 0.003 20: 0.000 28: 0.000 29: 0.000 54: 0.002 63: 0.033 70: 0.013 Fragment: O: 6: 0.003 50: 0.004 62: 0.080 Fragment: Ph: 1: 0.000 3: 0.000 4: 0.000 5: 0.000 7: 0.000 8: 0.003 9: 0.000 10: 0.000 11: 0.000 12: 0.000 13: 0.000 15: 0.000 16: 0.000 17: 0.000 18: 0.001 19: 0.000 21: 0.000 22: 0.000 23: 0.000 24: 0.000 25: 0.000 26: 0.000 27: 0.000 30: 0.000 31: 0.000 32: 0.000 33: 0.000 34: 0.001 35: 0.000 36: 0.000 37: 0.000 38: 0.000 39: 0.000 40: 0.000 41: 0.000 42: 0.000 43: 0.001 44: 0.001 45: 0.000 46: 0.000 47: 0.002 48: 0.000 49: 0.000 51: 0.008 52: 0.000 53: 0.001 57: 0.000 58: 0.001 60: 0.000 61: 0.000 64: 0.001 65: 0.000 66: 0.000 67: 0.000 68: 0.000 69: 0.000 Fragment: Link-1: 55: 0.002 Fragment: Link-2: 56: 0.005 Fragment: Link-3: 59: 0.012