85

C 1.805002 2.471659 -0.245752
C 2.222447 1.248115 -0.799204
C 2.571762 1.224965 -2.168388
C 2.456942 2.369032 -2.938768
C 2.037601 3.561633 -2.381479
C 1.727426 3.609381 -1.043233
B 2.434291 -0.027912 0.128950
C 3.877706 -0.728758 0.212529
C 4.995877 0.013428 0.632589
C 6.250289 -0.577947 0.680004
C 6.426838 -1.894827 0.314067
C 5.338145 -2.639434 -0.088630
C 4.069398 -2.080360 -0.137771
C 4.877486 1.462944 1.081433
C 2.929170 -2.979024 -0.600969
C 3.078826 -0.033514 -2.856754
C 1.443259 2.668541 1.222595
N 1.397428 -0.527693 1.014897
C -0.018633 -0.214077 0.960040
C -0.595840 0.104262 2.285202
C -0.071616 -0.409854 3.391523
C 1.123201 -1.235866 3.305251
C 1.806994 -1.261087 2.170467
C -0.784600 -0.371775 -0.132423
B -2.360162 -0.224458 -0.097826
C -3.090403 1.061171 0.497121
C -2.777324 2.344034 0.010154
C -3.420459 3.459332 0.527186
C -4.356020 3.333962 1.532936
C -4.668282 2.082540 2.022691
C -4.059918 0.945898 1.510861
C -1.776664 2.551315 -1.117307
C -4.445394 -0.402157 2.104046
C -0.220513 -0.862826 -1.457138
C -3.217298 -1.424966 -0.718236
C -3.023473 -2.747440 -0.269442
C -3.790989 -3.779208 -0.789375
C -4.732842 -3.540104 -1.767584
C -4.921730 -2.255273 -2.229037
C -4.187489 -1.196872 -1.713105
C -1.993661 -3.116482 0.792699
C -4.448818 0.186400 -2.292398
H -1.465735 0.723189 2.311477
H -0.505757 -0.214168 4.351900
H 1.472374 -1.778213 4.158795
H 2.736823 -1.773319 2.072399
H -0.948042 -1.481251 -1.966240
H 0.676074 -1.448531 -1.312996
H -3.644370 -4.777179 -0.424489
H -5.314634 -4.348180 -2.166036
H -5.649555 -2.065567 -2.993521
H -3.182797 4.430202 0.138170
H -4.839725 4.204456 1.931045
H -5.394380 1.982777 2.805766
H -4.868607 -1.054145 1.352492
H -3.584486 -0.901440 2.535564
H -5.175554 -0.269142 2.892756
H -1.659866 3.606826 -1.328540
H -0.805613 2.153182 -0.868862
H -2.112976 2.072781 -2.030324
H -2.206138 -4.104605 1.182737
H -0.995888 -3.128424 0.371640
H -1.987138 -2.426613 1.624411
H -4.738347 0.890666 -1.525861
H -3.565712 0.571136 -2.790245
H -5.240837 0.138337 -3.029233
H 7.090914 0.000994 1.009029
H 7.401749 -2.339993 0.350064
H 5.469505 -3.667439 -0.365105
H 2.712795 2.329749 -3.979378
H 1.967052 4.444576 -2.986167
H 1.420131 4.536235 -0.597824
H 3.292018 0.172271 -3.898217
H 3.984265 -0.396256 -2.390637
H 2.340137 -0.824055 -2.825932
H 0.368059 2.750787 1.333489
H 1.772494 1.861778 1.854639
H 1.888949 3.587719 1.586492
H 2.062643 -2.904056 0.039754
H 2.623569 -2.724115 -1.609067
H 3.251283 -4.012826 -0.610003
H 5.831000 1.818009 1.451989
H 4.568289 2.103413 0.266737
H 4.156369 1.565729 1.884334
H 0.028602 -0.030146 -2.105296
  
      2 d   12 h   7 m   43.1 s  , 
  
  
  
C39H43B2N << C1 >> density E(RHF) / 3-21G FC=  0 // OPT SP / X-ray? -1596.84841870
  
      0 d   0 h   21 m   28.4 s  , 
  
  
  
