50 
NDI-Cl2CF3 molec optimized by CAM-B3LYPp2p, SG=-1
  H        -1.19316406     3.35816096    -0.01838886
  Cl        1.49291927     3.97545731    -0.02119566
  O         3.64804165     2.12967367     0.10331834
  O         3.43620467    -2.39658860     0.03087499
  N         3.52668920    -0.12414418    -0.04260341
  C         2.93883721     1.15353361     0.02544531
  C         1.44878845     1.21518969     0.00397463
  C         0.70660191     0.00052540     0.00289470
  C         1.36627161    -1.24905930     0.00672741
  C         2.84566455    -1.33796256    -0.00120055
  C         0.75303900     2.41462919    -0.00687268
  C        -0.65516784     2.41801087    -0.01285243
  C         4.98003500    -0.17981457    -0.08326339
  H         5.37988336     0.69277877     0.42982681
  H         5.30659133    -1.09929153     0.39788464
  C         7.60104046    -0.30598099    -3.01888848
  C         7.00529727    -0.15643693    -1.60878729
  C         5.47220382    -0.17414950    -1.52284815
  F         7.08708625     0.60592594    -3.84214405
  F         7.35097498    -1.52041650    -3.50149025
  F         8.92051028    -0.13252629    -2.95275299
  F         7.48609170    -1.16944704    -0.85385581
  F         5.00237837     0.91350885    -2.17752656
  F         7.44048789     1.01167629    -1.09353770
  F         5.02264440    -1.26998136    -2.18165072
  H         1.19316406    -3.35816096     0.01838886
  Cl       -1.49291927    -3.97545731     0.02119566
  O        -3.64804165    -2.12967367    -0.10331834
  O        -3.43620467     2.39658860    -0.03087499
  N        -3.52668920     0.12414418     0.04260341
  C        -2.93883721    -1.15353361    -0.02544531
  C        -1.44878845    -1.21518969    -0.00397463
  C        -0.70660191    -0.00052540    -0.00289470
  C        -1.36627161     1.24905930    -0.00672741
  C        -2.84566455     1.33796256     0.00120055
  C        -0.75303900    -2.41462919     0.00687268
  C         0.65516784    -2.41801087     0.01285243
  C        -4.98003500     0.17981457     0.08326339
  H        -5.37988336    -0.69277877    -0.42982681
  H        -5.30659133     1.09929153    -0.39788464
  C        -7.60104046     0.30598099     3.01888848
  C        -7.00529727     0.15643693     1.60878729
  C        -5.47220382     0.17414950     1.52284815
  F        -7.08708625    -0.60592594     3.84214405
  F        -7.35097498     1.52041650     3.50149025
  F        -8.92051028     0.13252629     2.95275299
  F        -7.48609170     1.16944704     0.85385581
  F        -5.00237837    -0.91350885     2.17752656
  F        -7.44048789    -1.01167629     1.09353770
  F        -5.02264440     1.26998136     2.18165072
