98 
PC70BM molec optimized by CAM-B3LYPp2p
  C         5.26686385     0.84522125    -2.69660184
  C         6.04620987     0.77413732    -1.47875560
  C         5.85299117     2.00915255    -0.75073762
  C         4.95399700     2.84534999    -1.51739753
  C         4.59302921     2.12728344    -2.72251416
  C         6.12867247    -0.42632507    -0.78596941
  C         6.02141240    -0.44542738     0.65313428
  C         5.83788321     0.72967046     1.34587160
  C         5.75214710     1.98207262     0.63387844
  C         4.75352440     2.77788636     1.30589125
  C         3.89928547     3.57413205     0.57695856
  C         4.00150630     3.61330238    -0.86290544
  C         2.65422905     3.69328085    -1.37607692
  C         2.31194278     3.01286075    -2.52389346
  C         3.29930884     2.21422199    -3.21320614
  C         2.62217699     1.03126777    -3.69241364
  C         3.26143511    -0.18863782    -3.66430446
  C         4.61148205    -0.28587212    -3.16149088
  C         4.69731843    -1.52873288    -2.43110687
  C         5.43759871    -1.59594220    -1.27255371
  C         2.53416922    -1.37782601    -3.26535801
  C         3.41398938    -2.20013311    -2.50808820
  C         5.29314074    -1.63703836     1.04831865
  C         4.93155006    -2.34061943    -0.13502843
  C         1.22615828     1.11748174    -3.31672016
  C         1.03571356     2.33255702    -2.60057037
  C         1.73528694     3.72848399    -0.25519949
  C         2.49824806     3.65451331     0.94335007
  C         4.24874848     2.02594135     2.43918509
  C         4.91664822     0.76926775     2.46673588
  C         4.26768818    -0.39627733     2.93050260
  C         4.46374633    -1.65016474     2.19132208
  C         3.72950606    -3.07977291    -0.21354980
  C         2.93536687    -3.00048833    -1.44636548
  C         1.14923768    -1.33326815    -2.98604291
  C         0.47615449    -0.03887729    -3.00904383
  C         0.44710305     3.15264395    -0.34193906
  C         0.08935867     2.42640122    -1.55617679
  C         2.91046392     2.15746710     2.87392698
  C         1.99710388     2.99952021     2.09060085
  C         3.04370284    -0.19843897     3.61150727
  C         2.37551552     1.05799773     3.58127038
  C         3.05776874    -3.30632050     1.00817843
  C         3.42013969    -2.60518975     2.19271763
  C         1.53103425    -3.14544900    -1.35528498
  C         0.64926478    -2.32615906    -2.11236746
  C         0.62191648     2.66748497     2.07110791
  C        -0.14377433     2.74237847     0.87515419
  C        -0.83296046     1.35946575    -1.44710816
  C        -0.64112370     0.14545999    -2.16141129
  C        -1.21252875    -0.93197921    -1.39432200
  C        -0.56831470    -2.13637658    -1.35044777
  C         0.87932951    -3.46660845    -0.10326983
  C         1.62879208    -3.55605892     1.05295044
  C         2.21658230    -2.40952943     2.97508764
  C         2.03304818    -1.23505438     3.66797606
  C         0.94685598     0.80775607     3.62506639
  C         0.08954097     1.59026606     2.87766583
  C        -1.53007879     1.06255837    -0.22010860
  C        -1.17266691     1.72258065     0.92364797
  C         0.73297976    -0.60588992     3.69304499
  C        -1.03226563     1.00229248     2.19293750
  C        -1.95600785    -0.36020843    -0.24418612
  C        -0.42916991    -2.86573341    -0.08753751
  C         1.10975323    -3.01646669     2.27238452
  C        -0.94572418    -2.36315659     1.08765538
  C        -0.14122853    -2.40665926     2.27647712
  C        -0.33350952    -1.17433524     3.00322133
  C        -1.81402328    -1.15272731     1.14120607
  C        -1.25960361    -0.35596118     2.27158300
  C        -3.14392634    -0.96555383     0.46108753
  C        -3.78971547    -2.18514244    -0.14466790
  C        -4.08510483    -3.28143103     0.66584452
  C        -4.74933797    -4.38623835     0.14873525
  C        -5.12819030    -4.40760728    -1.18929566
  C        -4.83998793    -3.31921841    -2.00389132
  C        -4.17417964    -2.21468568    -1.48408745
  H        -3.78515978    -3.26986344     1.70996773
  H        -4.96822989    -5.23331647     0.79140031
  H        -5.64497032    -5.27131955    -1.59585633
  H        -5.13250624    -3.32722652    -3.04916352
  H        -3.94928743    -1.36891468    -2.12627177
  C        -4.14167799    -0.01000932     1.11335051
  H        -3.60769937     0.74920015     1.69110932
  H        -4.73013116    -0.58986616     1.83496167
  C        -5.07013521     0.67609114     0.11366246
  H        -5.63530582    -0.06646921    -0.45643673
  H        -4.47916158     1.23744791    -0.61803713
  C        -6.04213631     1.62491227     0.80312442
  H        -5.51133469     2.39974021     1.36941351
  H        -6.66354228     1.09718425     1.53649552
  C        -6.96307184     2.31580361    -0.17321518
  O        -6.95126463     2.17138318    -1.37174248
  O        -7.81943990     3.13322799     0.46304481
  C        -8.73166361     3.83609748    -0.38200469
  H        -9.35456014     3.13508094    -0.94171642
  H        -8.19061206     4.46795158    -1.08961179
  H        -9.34330788     4.44408915     0.28333842
