%chk=000092253.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000092253

0 1
 O  -8.2999999E-03  1.3800000E-02   1.409300    
 N   -2.313400      0.5416000      0.1260000    
 N    1.209700      0.4591000     -0.5542000    
 C   -1.068700       1.138300     -0.3928000    
 C  -0.9730000       2.636500     -7.3100001E-02
 C   -3.496100       1.254500     -0.3896000    
 C   -2.194300       3.396600     -0.5707000    
 C   -3.464000       2.742600     -4.5000002E-02
 C   -2.426700     -0.8810000     -0.2201000    
 C   9.4499998E-02  0.4674000      0.2741000    
 C   -3.705700      -1.470800      0.3714000    
 C   -3.854400      -2.947800      4.4000000E-03
 C    2.486700     -8.2099997E-02 -0.2736000    
 C   -5.107100      -3.551600      0.6189000    
 C    3.450400      0.7184000      0.3217000    
 C    2.753200      -1.403900     -0.5985000    
 C    4.709100      0.1848000      0.5984000    
 C    4.012000      -1.937300     -0.3219000    
 C    3.180000       2.144300      0.6783000    
 C    1.726300      -2.280300      -1.239600    
 C    4.990000      -1.143000      0.2767000    
 H   -1.018100      0.9961000      -1.481200    
 H  -7.0900001E-02   3.064800     -0.5273000    
 H  -0.8709000       2.788200       1.010400    
 H   -4.422000      0.9055000      7.2800003E-02
 H   -3.590600       1.129400      -1.476300    
 H   -2.205900       3.399000      -1.667400    
 H   -2.146100       4.441500     -0.2453000    
 H   -3.521800       2.872900       1.043200    
 H   -4.340200       3.242100     -0.4742000    
 H   -1.583600      -1.459000      0.1726000    
 H   -2.423800      -1.017000      -1.309900    
 H   -4.609300     -0.9926000     -1.4900000E-02
 H   -3.704700      -1.355500       1.462300    
 H   -2.979700      -3.508100      0.3549000    
 H   -3.896400      -3.060400      -1.085300    
 H    1.167100      0.9950000      -1.418200    
 H   -5.190200      -4.608700      0.3476000    
 H   -5.081000      -3.482600       1.711100    
 H   -6.006300      -3.038500      0.2632000    
 H    5.482600      0.7891000       1.065000    
 H    4.247500      -2.970100     -0.5648000    
 H    2.409100       2.204400       1.453400    
 H    4.074500       2.644800       1.064600    
 H    2.851700       2.706200     -0.2026000    
 H   0.8967000      -2.463000     -0.5489000    
 H    1.340200      -1.817900      -2.154200    
 H    2.140700      -3.254100      -1.522600    
 H    5.969900      -1.558600      0.4925000    


%chk=000092253-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000092253

0 1
O 0.123540 0.268647 1.745187
N -2.418005 0.723206 0.089271
N 1.050902 0.380369 -0.405867
C -1.133190 1.463101 -0.018349
C -1.198688 2.793174 0.778738
C -3.552796 1.546259 -0.403011
C -2.378342 3.671486 0.315350
C -3.690633 2.862273 0.385368
C -2.363672 -0.614232 -0.557904
C 0.050014 0.632170 0.538125
C -3.545299 -1.533716 -0.184866
C -3.332053 -2.979856 -0.689602
C 2.335606 -0.225288 -0.163689
C -4.520461 -3.907265 -0.356825
C 3.494390 0.519642 -0.539233
C 2.440382 -1.536717 0.384490
C 4.768718 -0.060337 -0.341803
C 3.738798 -2.071504 0.581976
C 3.366196 1.915527 -1.125081
C 1.220377 -2.368274 0.720337
C 4.894866 -1.346865 0.226051
H -0.920224 1.712397 -1.099693
H -0.238544 3.333101 0.663003
H -1.308316 2.530000 1.846530
H -4.479160 0.956019 -0.300906
H -3.428828 1.783237 -1.495695
H -2.208245 4.011328 -0.727790
H -2.443718 4.580116 0.943128
H -3.923563 2.622810 1.440348
H -4.536324 3.447910 -0.023718
H -1.435933 -1.110119 -0.219349
H -2.297972 -0.526716 -1.676500
H -4.496057 -1.150074 -0.605309
H -3.652740 -1.529958 0.917066
H -2.404990 -3.390543 -0.239346
H -3.167998 -2.967439 -1.787058
H 0.914699 0.816857 -1.321928
H -4.344772 -4.936907 -0.718907
H -4.689258 -3.956212 0.735295
H -5.453671 -3.539073 -0.823719
H 5.663742 0.507082 -0.622531
H 3.834061 -3.077034 1.007894
H 2.742163 2.566648 -0.484694
H 4.357612 2.386954 -1.228843
H 2.903634 1.908415 -2.133393
H 0.701776 -1.958260 1.605839
H 0.491109 -2.360122 -0.111928
H 1.502193 -3.415807 0.921070
H 5.887373 -1.783407 0.383070


