44 
NDFPh molec optimized by CAM-B3LYPp2p, SG=2/m
  C        -5.43707252     1.05365142     0.00000000   `1    [2,6,14]
  C        -5.82791204     2.39696336     0.00000000   `2    [1,3,7]
  C        -7.17145330     2.73916552     0.00000000   `2    [2,4,8]
  C        -8.14789741     1.74747578     0.00000000   `2    [3,5,9]
  C        -7.76743824     0.41040629     0.00000000   `2    [4,6,10]
  C        -6.42343558     0.06290104     0.00000000   `2    [1,5,11]
  H        -5.07484657     3.17845513     0.00000000   `3    [2]
  H        -7.45835682     3.78615274     0.00000000   `3    [3]
  H        -9.19935038     2.01692118     0.00000000   `3    [4]
  H        -8.52206398    -0.37006681     0.00000000   `3    [5]
  H        -6.12738879    -0.97963259     0.00000000   `3    [6]
  C        -1.78959076     0.49824346     0.00000000   `1    [13,16,27]
  C        -2.87860792     1.42997824     0.00000000   `2    [12,14,28]
  C        -4.02288992     0.69355542     0.00000000   `4    [1,13,15]
  O        -3.73283959    -0.64609418     0.00000000   `5    [14,16]
  C        -2.37818572    -0.75564199     0.00000000   `4    [12,15,17]
  C        -1.66418202    -1.95957079     0.00000000   `2    [16,18,29]
  C        -0.29653262    -1.86544455     0.00000000   `2    [17,19,30]
  C         0.36986225    -0.60826669     0.00000000   `1    [18,20,27]
  C         1.78959076    -0.49824346     0.00000000   `1    [19,21,24]
  C         2.87860792    -1.42997824     0.00000000   `2    [20,22,31]
  C         4.02288992    -0.69355542     0.00000000   `4    [21,23,34]
  O         3.73283959     0.64609418     0.00000000   `5    [22,24]
  C         2.37818572     0.75564199     0.00000000   `4    [20,23,25]
  C         1.66418202     1.95957079     0.00000000   `2    [24,26,32]
  C         0.29653262     1.86544455     0.00000000   `2    [25,27,33]
  C        -0.36986225     0.60826669     0.00000000   `1    [12,19,26]
  H        -2.81841786     2.50811249     0.00000000   `3    [13]
  H        -2.17847693    -2.91372615     0.00000000   `3    [17]
  H         0.30288525    -2.76989135     0.00000000   `3    [18]
  H         2.81841786    -2.50811249     0.00000000   `3    [21]
  H         2.17847693     2.91372615     0.00000000   `3    [25]
  H        -0.30288525     2.76989135     0.00000000   `3    [26]
  C         5.43707252    -1.05365142     0.00000000   `1    [22,35,39]
  C         5.82791204    -2.39696336     0.00000000   `2    [34,36,40]
  C         7.17145330    -2.73916552     0.00000000   `2    [35,37,41]
  C         8.14789741    -1.74747578     0.00000000   `2    [36,38,42]
  C         7.76743824    -0.41040629     0.00000000   `2    [37,39,43]
  C         6.42343558    -0.06290104     0.00000000   `2    [34,38,44]
  H         5.07484657    -3.17845513     0.00000000   `3    [35]
  H         7.45835682    -3.78615274     0.00000000   `3    [36]
  H         9.19935038    -2.01692118     0.00000000   `3    [37]
  H         8.52206398     0.37006681     0.00000000   `3    [38]
  H         6.12738879     0.97963259     0.00000000   `3    [39]
