%chk=000054712.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000054712

0 1
 O  -0.1630000      -1.273000      -1.708700    
 O   -2.520000      0.6443000      -2.131700    
 O   -3.522500     -0.9057000       2.117900    
 O    1.558400      0.2773000      -1.187100    
 N   -2.812700     -0.5058000     -9.3500003E-02
 N   4.4900000E-02  -1.422100      0.6041000    
 N    3.550500      -1.134400       1.284900    
 N    3.429800     -0.2694000      0.1799000    
 C   -2.140100      -1.746300     -0.3858000    
 C   -2.754500      -2.503500      -1.582200    
 C  -0.6570000      -1.442300     -0.5952000    
 C   -2.002800      -3.810900      -1.850900    
 C   -4.249900      -2.789700      -1.409000    
 C   -2.925200      0.5432000     -0.9886000    
 C   -3.422600     -0.2225000       1.115800    
 C   -3.663500       1.592700     -0.2867000    
 C   -3.964200       1.129700      0.9858000    
 C    1.370800      -1.176600      0.6927000    
 C    2.272900      -1.611300       1.581400    
 C    2.103300     -0.3106000     -0.2672000    
 C   -4.045500       2.846900     -0.7165000    
 C   -4.662600       1.896500       1.895600    
 C    4.407300      0.6977000     -0.1629000    
 C    2.038500      -2.529700       2.733200    
 C    4.712200      -2.015600       1.352600    
 C   -4.754000       3.642000      0.1889000    
 C   -5.059400       3.171500       1.482300    
 C    4.363800       1.332200      -1.408600    
 C    5.422200       1.025600      0.7417000    
 C    5.325500       2.284500      -1.746100    
 C    6.383800       1.978000      0.4040000    
 C    6.335400       2.607400     -0.8399000    
 H   -2.232800      -2.397300      0.4941000    
 H   -2.652500      -1.895000      -2.489900    
 H   -2.026900      -4.465100     -0.9725000    
 H   -2.461800      -4.355100      -2.683800    
 H  -0.9562000      -3.643700      -2.119300    
 H   -4.643100      -3.343000      -2.268700    
 H   -4.433800      -3.386800     -0.5095000    
 H   -4.826500      -1.863200      -1.326000    
 H  -0.4087000      -1.807100       1.428100    
 H   -3.811200       3.208800      -1.710600    
 H   -4.898000       1.534900       2.889600    
 H    2.560900      -3.479900       2.583500    
 H    2.404800      -2.075600       3.659700    
 H   0.9775000      -2.755400       2.875200    
 H    4.916100      -2.288800       2.393300    
 H    5.624100      -1.571300      0.9467000    
 H    4.526000      -2.935100      0.7854000    
 H   -5.075200       4.637500     -0.1063000    
 H   -5.611800       3.810900       2.166000    
 H    3.611600       1.088600      -2.151800    
 H    5.473700      0.5878000       1.734400    
 H    5.291900       2.770500      -2.716800    
 H    7.165500       2.236100       1.112600    
 H    7.083800       3.349300      -1.102500    


%chk=000054712-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000054712

0 1
O -0.306000 -2.634554 -1.210524
O -3.333873 -0.939366 -2.641827
O -2.456163 0.361633 1.804858
O 1.286670 1.367636 1.145489
N -2.837190 -0.638065 -0.314214
N -0.028655 -1.289432 0.690411
N 3.616107 -1.199138 0.291533
N 3.300867 0.168102 0.587831
C -2.319118 -1.968858 0.096962
C -3.098013 -3.173749 -0.489183
C -0.792817 -2.015549 -0.222593
C -2.570376 -4.478750 0.155229
C -4.617472 -3.029813 -0.244400
C -3.273782 -0.223384 -1.615118
C -2.856571 0.448689 0.612915
C -3.637456 1.225272 -1.465818
C -3.393975 1.624016 -0.129659
C 1.353555 -1.036665 0.556366
C 2.390019 -1.906286 0.255267
C 1.887301 0.308612 0.790134
C -4.132787 2.126578 -2.418837
C -3.630496 2.938243 0.299743
C 4.314341 1.066818 1.036540
C 2.363195 -3.373670 -0.050408
C 4.617253 -1.405492 -0.787655
C -4.382327 3.458350 -1.994639
C -4.134325 3.857822 -0.656678
C 4.108473 2.463067 0.890554
C 5.503297 0.578870 1.639440
C 5.098903 3.359033 1.344019
C 6.492238 1.488641 2.069911
C 6.297718 2.881663 1.924210
H -2.432381 -1.977007 1.200732
H -2.902607 -3.211117 -1.575160
H -2.722472 -4.474743 1.252625
H -3.116386 -5.347344 -0.254846
H -1.497831 -4.628038 -0.055705
H -5.142488 -3.927755 -0.617298
H -4.842578 -2.931940 0.835642
H -5.044709 -2.157690 -0.768183
H -0.531455 -0.707333 1.377818
H -4.313146 1.807942 -3.450218
H -3.424976 3.236631 1.332200
H 2.160982 -3.561396 -1.119867
H 3.308630 -3.862594 0.241883
H 1.537867 -3.848361 0.505066
H 4.815231 -2.484861 -0.873023
H 5.555956 -0.893731 -0.527497
H 4.249269 -1.021460 -1.758915
H -4.768232 4.191503 -2.710983
H -4.331002 4.893631 -0.360347
H 3.177157 2.825952 0.450197
H 5.627374 -0.497114 1.800112
H 4.933547 4.436670 1.236601
H 7.407926 1.107067 2.535267
H 7.064982 3.584917 2.265139


