PM7 Accuracy Date:Mon Feb 11 04:20:05 2019

diethylberyllium    143 Diethylberyllium

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    #  Species Formula
   133 Isobutyl, cationC4H9
   134 IsobutylC4H9
   135 n-Butane (Geo)C4H10
   136 Isobutane (Geo)C4H10
   137 IsobutaneC4H10
   138 n-Butane, transC4H10
   139 t-butyl lithium (Geo)H9LiC4
   140 n-Butyl lithium (Geo)H9LiC4
   141 n-Butyl lithiumH9LiC4
   142 t-Butyl lithiumH9LiC4
   143 Diethylberyllium H10BeC4
   144 C4B2H6C4H6B2
   145 Cyclopentadienyl, anionC5H5
   146 Cyclopentadiene (Geo)C5H6
   147 CyclopentadieneC5H6
   148 1,2-Dimethyl cyclopropeneC5H8
   149 1,4-PentadieneC5H8
   150 1,cis-3-PentadieneC5H8
   151 1,trans-3-PentadieneC5H8
   152 Bicyclo(2.1.0)-pentaneC5H8
   153 CyclopenteneC5H8


I.P.: 9.5 eV,     REF: D. B. Chambers, G. E. Coates, F. Glonkling, J. Chem. Soc., A. 741 (1970).
  
 PM7
Diethylberyllium
 I=9.46 IR=CCG1970
  C     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  C     1.51672804 +1    0.0000000 +0    0.0000000 +0     1     0     0
 Be     1.60536480 +1  107.2693717 +1    0.0000000 +0     2     1     0
  C     1.60536632 +1  180.0000000 +0   86.2648170 +1     3     2     1
  C     1.51670804 +1  107.2490594 +1  -66.0756404 +1     4     3     1
  H     1.09832637 +1  110.9874964 +1  179.0201515 +1     5     4     3
  H     1.09668038 +1  111.9710599 +1   59.5506689 +1     5     4     3
  H     1.09667471 +1  111.9335339 +1  -61.5135457 +1     5     4     3
  H     1.09401639 +1  108.7156720 +1 -145.5142998 +1     4     3     7
  H     1.09436756 +1  108.3091806 +1   97.8071335 +1     4     3     7
  H     1.09402735 +1  108.6858789 +1 -164.1335282 +1     2     3     7
  H     1.09434634 +1  108.3412463 +1   79.1932049 +1     2     3     7
  H     1.09832843 +1  110.9786879 +1 -179.9714803 +1     1     2     3
  H     1.09672799 +1  111.9337910 +1   60.5937564 +1     1     2     3
  H     1.09666043 +1  111.9704397 +1  -60.4894083 +1     1     2     3