E=-2988.395221165334 Eh
H=-2988.24880731 Eh
G=-2988.29527720 Eh
18
0 1
  C   -0.83149428948352     -1.07776903536977     -0.46767125969517
  C   0.55309765213831     -1.14173925586294     -0.36656077411497
  C   1.27246895412168      0.02111196067675     -0.06591947970966
  C   0.61830061239617      1.23115187161627      0.14277910613236
  C   -0.77830323445255      1.27609933366647      0.07123489898264
  C   -1.53008568140213      0.12875163972478     -0.23647876088722
  C   -2.97899572179100      0.20461985322160     -0.47892758342155
  N   -3.64581941033054     -0.97937111129051      1.12482231211333
  N   -3.84515373390016     -1.30732168111293      0.04544702230951
  H   1.07167478326345     -2.07341751843992     -0.53507204240487
  H   -1.38249868278992     -1.97137186803198     -0.72285395771754
  H   -1.27058076949851      2.22096203338295      0.24763594614143
  H   1.18069589800161      2.12368451113610      0.37198717845729
  Br  3.16964206796937     -0.05614258279348      0.05193294337593
  C   -3.77526093318366      1.43428348885301     -0.13369133089020
  H   -4.84286099940222      1.22686057877492     -0.19003872220917
  H   -3.55241813106735      1.89299544455818      0.83200528099366
  H   -3.55078310058902      2.16377171729052     -0.91715585745582