%chk=000162460.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000162460

0 1
 O   -2.294400       1.832100     -0.7051000    
 O   -2.192100       4.127600     -0.5666000    
 O    4.263900      0.9019000      0.3314000    
 O    4.752200       3.142700      0.5291000    
 N   -3.977500     -0.2903000      7.7000000E-02
 N    3.870000      -4.793700      0.1076000    
 N    1.607000      -2.126300      -2.667000    
 C   -4.258700      0.4943000      -1.102600    
 C   -2.784700      -1.015100      0.2046000    
 C   -4.963900     -0.3064000       1.157900    
 C   -3.705700       1.899500     -0.9363000    
 C   -1.902100     -0.7301000       1.246400    
 C  -0.7145000      -1.451100       1.371200    
 C   -2.479900      -2.021000     -0.7124000    
 C  -0.4095000      -2.456800      0.4541000    
 C   -5.801200      -1.568700       1.082100    
 C   -1.292300      -2.741800     -0.5877000    
 C   0.2088000      -1.117900       2.498700    
 C   0.8229000      -3.227300      0.5568000    
 C   -1.638400       3.020500     -0.5331000    
 C  -0.2160000       2.818600     -0.3084000    
 C    1.794300      -3.327200     -0.3821000    
 C   0.5027000       3.725400      0.4709000    
 C   0.4300000       1.718800     -0.8729000    
 C    2.513100       2.431900      0.1215000    
 C    1.867100       3.531900      0.6858000    
 C    1.794500       1.525400     -0.6579000    
 C    3.935500       2.230100      0.3460000    
 C    2.938700      -4.136700     -0.1109000    
 C    1.689200      -2.663500      -1.641400    
 C    5.641200      0.5734000      0.5432000    
 H   -5.338600      0.5446000      -1.286000    
 H   -3.814700      3.2299999E-02  -1.992600    
 H   -5.624200      0.5659000       1.080500    
 H   -4.482800     -0.2368000       2.139900    
 H   -3.896400       2.480500      -1.845600    
 H   -4.182800       2.400200     -8.5500002E-02
 H   -2.133300      6.2600002E-02   1.954200    
 H   -3.162600      -2.264700      -1.522400    
 H   -5.186200      -2.464700       1.216800    
 H   -6.305300      -1.651000      0.1133000    
 H   -6.566300      -1.564300       1.864700    
 H   -1.088300      -3.533700      -1.304600    
 H   0.2907000      -1.962500       3.190600    
 H    1.203300     -0.8582000       2.120400    
 H  -0.1470000     -0.2569000       3.075500    
 H   0.9485000      -3.747100       1.506200    
 H   1.3800000E-02   4.585600      0.9209000    
 H  -0.1009000       1.003100      -1.495500    
 H    2.411600       4.245700       1.298600    
 H    2.274100      0.6676000      -1.121500    
 H    6.259200       1.013800     -0.2448000    
 H    5.964500      0.9218000       1.528500    
 H    5.741400     -0.5145000      0.5033000    


%chk=000162460-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000162460

0 1
O -2.019333 2.050004 -0.525624
O -2.037488 4.366524 -0.292320
O 4.952518 1.873259 -0.784865
O 5.116809 4.197204 -0.803340
N -3.926856 -0.275683 0.361553
N 3.590515 -5.583786 1.177211
N 2.810138 -1.509439 -0.505206
C -4.039994 0.683587 -0.755916
C -2.865994 -1.171208 0.478489
C -5.064520 -0.287737 1.310996
C -3.502200 2.094404 -0.476150
C -2.879855 -2.224856 1.453737
C -1.803436 -3.110133 1.625330
C -1.713260 -1.078903 -0.369417
C -0.618736 -2.961964 0.812097
C -6.192905 -1.267524 0.913403
C -0.633522 -1.940134 -0.191703
C -1.909088 -4.192771 2.688111
C 0.516296 -3.829633 1.029910
C -1.382658 3.302732 -0.418509
C 0.101234 3.200872 -0.492449
C 1.849911 -3.680887 0.631789
C 0.840495 4.413966 -0.533234
C 0.783195 1.955727 -0.525326
C 2.921169 3.132212 -0.660702
C 2.242239 4.378695 -0.617806
C 2.189282 1.916974 -0.611862
C 4.413490 3.156555 -0.755143
C 2.802255 -4.716434 0.929033
C 2.375193 -2.509372 -0.010473
C 6.428095 1.794126 -0.876547
H -5.116102 0.791760 -0.993715
H -3.560490 0.277858 -1.662787
H -5.470225 0.740250 1.360381
H -4.689757 -0.516852 2.323982
H -3.861164 2.805157 -1.244171
H -3.820101 2.470007 0.513937
H -3.756880 -2.362330 2.092147
H -1.649566 -0.298673 -1.129429
H -5.825584 -2.307301 0.872687
H -6.605674 -1.016391 -0.080444
H -7.018644 -1.218176 1.646343
H 0.223786 -1.830483 -0.860323
H -1.812479 -5.205737 2.253273
H -1.123445 -4.090422 3.459140
H -2.884992 -4.146014 3.198652
H 0.327750 -4.736612 1.617950
H 0.296933 5.363434 -0.499901
H 0.213141 1.025297 -0.470041
H 2.833591 5.299096 -0.653546
H 2.716068 0.958053 -0.640698
H 6.779009 2.279271 -1.803029
H 6.891292 2.293916 -0.009088
H 6.648442 0.718011 -0.881589


