%chk=000048501.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000048501

1 1
 O    2.387200      0.6333000      0.8637000    
 O   -2.386600      0.6307000      0.8631000    
 O    2.343700       1.229200      -1.371700    
 O   -2.342700       1.226800      -1.372200    
 N   2.4000001E-03  -3.432600     -0.2681000    
 N    4.126500       1.932400     -5.3900000E-02
 N   -4.126900       1.928000     -5.5199999E-02
 C   1.7000000E-03  -1.957900      0.1421000    
 C  -0.7201000      -3.570200      -1.605200    
 C  -0.7017000      -4.244100      0.8157000    
 C    1.416600      -3.985500     -0.4323000    
 C   -1.206500      -1.368100      0.3065000    
 C    1.209300      -1.366800      0.3067000    
 C    1.208800     -2.3000000E-02  0.6809000    
 C   -1.207300     -2.4300000E-02  0.6806000    
 C   3.9999999E-04  0.6483000      0.8678000    
 C    2.915700       1.269500     -0.2829000    
 C   -2.915200       1.266400     -0.2837000    
 C    4.793100       2.634900      -1.141100    
 C    4.795000       1.977300       1.242500    
 C   -4.793700       2.629900      -1.142500    
 C   -4.799600       1.965800       1.239300    
 H  -0.2351000      -2.914100      -2.335100    
 H  -0.6415000      -4.613500      -1.927700    
 H   -1.776600      -3.314000      -1.487900    
 H   -1.757500      -3.964000      0.8655000    
 H  -0.6266000      -5.303300      0.5494000    
 H  -0.2013000      -4.060600       1.772100    
 H    1.943300      -3.941400      0.5267000    
 H    1.330400      -5.037400     -0.7280000    
 H    1.932600      -3.445200      -1.232900    
 H   -2.154300      -1.874400      0.1673000    
 H    2.177100      -1.831500      0.1789000    
 H  -3.0000001E-04   1.695400       1.160400    
 H    4.234200       2.555000      -2.076800    
 H    5.787600       2.201800      -1.282600    
 H    4.887800       3.690900     -0.8722000    
 H    5.789800       1.534500       1.138300    
 H    4.244300       1.431700       2.011100    
 H    4.890800       3.022600       1.550300    
 H   -4.897000       3.684200     -0.8701000    
 H   -4.230300       2.557500      -2.076100    
 H   -5.784500       2.190400      -1.289900    
 H   -4.903400       3.009900       1.548800    
 H   -5.791100       1.516500       1.131100    
 H   -4.247600       1.422500       2.008500    


%chk=000048501-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000048501

1 1
O 2.365796 1.131550 0.323426
O -2.345778 1.104646 0.322152
O 4.004147 -0.532096 -0.155669
O -3.959761 -0.587872 -0.133982
N -0.001646 -3.165876 -0.845517
N 4.605001 1.649187 0.468920
N -4.592257 1.590360 0.470672
C 0.030157 -1.685211 -0.442944
C -0.739079 -3.313687 -2.184370
C -0.732865 -3.971013 0.238619
C 1.395800 -3.763101 -1.012013
C -1.215066 -1.052548 -0.268358
C 1.263957 -1.040240 -0.269631
C 1.231684 0.330859 0.103183
C -1.203750 0.315167 0.103349
C 0.011313 1.008460 0.289171
C 3.721762 0.648940 0.182582
C -3.694868 0.600463 0.193244
C 6.050770 1.354716 0.381453
C 4.241351 3.023490 0.866631
C -6.033722 1.274030 0.389054
C -4.247881 2.973979 0.853313
H -0.199163 -2.730327 -2.944585
H -0.761854 -4.379736 -2.459944
H -1.762215 -2.928188 -2.082452
H -1.761775 -3.599928 0.337479
H -0.739970 -5.032957 -0.053016
H -0.199159 -3.835550 1.190733
H 1.940482 -3.699486 -0.059463
H 1.279352 -4.817728 -1.304857
H 1.939651 -3.217637 -1.796059
H -2.181134 -1.542925 -0.397234
H 2.237207 -1.509759 -0.399679
H 0.004778 2.061858 0.576778
H 6.193825 0.304984 0.088891
H 6.531680 1.529578 1.360980
H 6.525678 2.011150 -0.370237
H 4.657597 3.245511 1.866569
H 3.151797 3.139279 0.896469
H 4.663219 3.745653 0.143529
H -6.519703 1.916568 -0.367530
H -6.162130 0.219658 0.106502
H -6.515160 1.450814 1.367972
H -4.680092 3.682258 0.122649
H -4.667001 3.200732 1.850957
H -3.160072 3.105472 0.881464


