%chk=000030453.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000030453

0 1
 O   0.1863000      -1.014000     -0.4456000    
 O   -6.747600      0.5288000      3.7500001E-02
 O   -6.113800      -1.546300      0.3710000    
 N   0.5120000      0.2404000      0.2322000    
 N   -5.849300     -0.3405000      0.1465000    
 N    6.952900      0.2062000     -0.2656000    
 C  -0.3690000       1.235300     -0.3967000    
 C   -1.820000      0.8389000     -0.2381000    
 C    1.912100      0.4866000     -9.0099998E-02
 C   -2.140200     -0.5139000     -9.3999999E-03
 C   -1.024300      -1.517900      0.1340000    
 C    2.821000     -0.5259000      0.6078000    
 C   -2.843900       1.782700     -0.3668000    
 C   -3.477200     -0.8980000      0.1283000    
 C    4.274700     -0.2684000      0.3005000    
 C   -4.491600      5.2600000E-02  1.1200000E-02
 C   -4.175900       1.388400     -0.2390000    
 C    4.857400     -0.8771000     -0.7949000    
 C    5.004700      0.5731000       1.118300    
 C    6.195300     -0.6081000      -1.034200    
 C    6.336200      0.7772000      0.7933000    
 H  -0.1554000       1.342300      -1.468100    
 H  -0.2090000       2.206000      8.7399997E-02
 H    2.079900      0.4600000      -1.175500    
 H    2.185600       1.495500      0.2458000    
 H  -0.8548000      -1.762200       1.189400    
 H   -1.277200      -2.438100     -0.4028000    
 H    2.571400      -1.552400      0.3088000    
 H    2.665800     -0.4887000       1.694500    
 H   -2.609900       2.825400     -0.5638000    
 H   -3.697400      -1.944900      0.3244000    
 H   -4.943400       2.151800     -0.3401000    
 H    4.302000      -1.538800      -1.450100    
 H    4.566400       1.061800       1.981000    
 H    6.709300      -1.055100      -1.878900    
 H    6.961600       1.427400       1.396200    


%chk=000030453-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000030453

0 1
O 0.174284 -1.076546 -0.467581
O -6.864228 0.557879 0.004142
O -6.204246 -1.587252 0.410801
N 0.503775 0.248117 0.227047
N -5.954110 -0.347318 0.147470
N 7.063025 0.209705 -0.313165
C -0.395415 1.241787 -0.428303
C -1.850169 0.824017 -0.272860
C 1.934061 0.479925 -0.098702
C -2.177287 -0.530498 0.013648
C -1.059801 -1.553379 0.163297
C 2.846045 -0.490622 0.688539
C -2.887256 1.777420 -0.426257
C -3.527465 -0.910238 0.155829
C 4.310754 -0.266528 0.357604
C -4.536331 0.061943 0.001484
C -4.238442 1.410299 -0.292472
C 4.884831 -0.786262 -0.831626
C 5.157037 0.498155 1.199727
C 6.242677 -0.527413 -1.122113
C 6.505980 0.706529 0.831720
H -0.154801 1.362894 -1.511239
H -0.226258 2.215502 0.069545
H 2.115507 0.377479 -1.192568
H 2.157563 1.526098 0.186570
H -0.874163 -1.773966 1.233703
H -1.298804 -2.492772 -0.366535
H 2.540349 -1.520685 0.431615
H 2.660964 -0.345783 1.767997
H -2.632301 2.820362 -0.647225
H -3.814387 -1.943204 0.376844
H -5.051889 2.131169 -0.404725
H 4.286128 -1.395423 -1.518816
H 4.775765 0.921196 2.136321
H 6.705948 -0.922740 -2.033518
H 7.177358 1.290255 1.472202


