66 
PDI-FCN2 molec optimized by CAM-B3LYPp2p, SG=-1
  C         5.02282252     1.36346300    -0.00174368
  C         5.09324862    -1.11086236     0.04665928
  C         3.54175750     1.29831037    -0.02111416
  C         3.61042449    -1.12374682     0.02281346
  C         2.83208018     2.46663453    -0.09289978
  C         2.85482160     0.06627819     0.01101325
  C         2.97345492    -2.32951947    -0.01365666
  C         1.43523780     2.43793263    -0.10465548
  C         1.43162705     0.01847562     0.00879747
  C         1.56681149    -2.40118564    -0.03870786
  C         0.71022940     1.25898394    -0.02573088
  C         0.76596510    -1.24808689     0.00383726
  N         5.70524889     0.14449202     0.08363273
  O         5.62743574     2.41302943    -0.06110569
  O         5.75131687    -2.12953549     0.02812243
  C         1.10241895    -3.75557977    -0.14000887
  N         0.84893955    -4.88099312    -0.23238616
  H         3.36544327     3.40898828    -0.14096436
  H         3.56227341    -3.23913641    -0.03126978
  H         0.93820847     3.38925416    -0.18000884
  C         7.15654394     0.18623995     0.14821167
  H         7.50393917     1.08220734    -0.36212797
  H         7.55281582    -0.71128330    -0.32424215
  C         7.62476156     0.22689000     1.59528757
  F         7.17518872     1.34860368     2.20829687
  F         7.13324828    -0.83372897     2.27804297
  C         9.15590125     0.19767115     1.70822428
  F         9.58814023    -0.99089786     1.23886884
  F         9.65962580     1.18070578     0.92911514
  C         9.72929741     0.38756385     3.12269465
  F        11.04815988     0.20135468     3.08451859
  F         9.48172508     1.61878144     3.56201778
  F         9.19387094    -0.49333316     3.96585418
  C        -5.02282252    -1.36346300     0.00174368
  C        -5.09324862     1.11086236    -0.04665928
  C        -3.54175750    -1.29831037     0.02111416
  C        -3.61042449     1.12374682    -0.02281346
  C        -2.83208018    -2.46663453     0.09289978
  C        -2.85482160    -0.06627819    -0.01101325
  C        -2.97345492     2.32951947     0.01365666
  C        -1.43523780    -2.43793263     0.10465548
  C        -1.43162705    -0.01847562    -0.00879747
  C        -1.56681149     2.40118564     0.03870786
  C        -0.71022940    -1.25898394     0.02573088
  C        -0.76596510     1.24808689    -0.00383726
  N        -5.70524889    -0.14449202    -0.08363273
  O        -5.62743574    -2.41302943     0.06110569
  O        -5.75131687     2.12953549    -0.02812243
  C        -1.10241895     3.75557977     0.14000887
  N        -0.84893955     4.88099312     0.23238616
  H        -3.36544327    -3.40898828     0.14096436
  H        -3.56227341     3.23913641     0.03126978
  H        -0.93820847    -3.38925416     0.18000884
  C        -7.15654394    -0.18623995    -0.14821167
  H        -7.50393917    -1.08220734     0.36212797
  H        -7.55281582     0.71128330     0.32424215
  C        -7.62476156    -0.22689000    -1.59528757
  F        -7.17518872    -1.34860368    -2.20829687
  F        -7.13324828     0.83372897    -2.27804297
  C        -9.15590125    -0.19767115    -1.70822428
  F        -9.58814023     0.99089786    -1.23886884
  F        -9.65962580    -1.18070578    -0.92911514
  C        -9.72929741    -0.38756385    -3.12269465
  F       -11.04815988    -0.20135468    -3.08451859
  F        -9.48172508    -1.61878144    -3.56201778
  F        -9.19387094     0.49333316    -3.96585418
