%chk=000115628.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000115628

0 1
 O    1.030400       1.286800      0.1591000    
 O   -1.773700     -0.8172000      7.1199998E-02
 O    2.258900       1.501000      -1.769500    
 O   -1.884000      -2.350800       1.762100    
 N    3.257400      0.9489000      0.2505000    
 N   -2.130500      -3.046400     -0.4432000    
 C   -1.406600       1.596000      0.3579000    
 C   -2.653200       1.966200     -0.4995000    
 C  -0.1543000       1.602100     -0.5593000    
 C   -1.562500      0.2103000       1.029400    
 C   -1.174000       2.646200       1.462300    
 C   -3.969700       2.109800      0.2733000    
 C   -5.107100       2.525000     -0.6496000    
 C    2.193500       1.267000     -0.5672000    
 C    5.212800     -0.5489000      1.6400000E-02
 C    4.622200      0.8469000     -0.2123000    
 C   -1.925800      -2.093500      0.5602000    
 C    4.403200      -1.593200     -0.7530000    
 C    5.250200     -0.9093000       1.503300    
 C   -2.316200      -4.461700     -0.1390000    
 C   -2.170900      -2.685200      -1.853100    
 H   -2.785500       1.216800      -1.290900    
 H   -2.453600       2.915800      -1.014700    
 H  -0.2847000      0.8729000      -1.369200    
 H  -3.7200000E-02   2.594200      -1.014700    
 H  -0.6622000     -2.8000001E-02   1.610200    
 H   -2.406200      0.2240000       1.730000    
 H  -0.2499000       2.452800       2.018700    
 H   -1.984400       2.647000       2.198500    
 H   -1.102400       3.654500       1.039400    
 H   -4.235800       1.162400      0.7531000    
 H   -3.877400       2.864900       1.059900    
 H   -6.039000       2.619500     -8.3400004E-02
 H   -4.897300       3.490000      -1.121900    
 H   -5.262900       1.782100      -1.438400    
 H    6.241000     -0.5514000     -0.3656000    
 H    4.676600       1.111100      -1.274200    
 H    5.200700       1.594900      0.3412000    
 H    3.071100      0.8246000       1.240900    
 H    4.876600      -2.577800     -0.6719000    
 H    4.348900      -1.339000      -1.816900    
 H    3.380900      -1.687400     -0.3716000    
 H    4.246900      -1.006500       1.930500    
 H    5.793200     -0.1488000       2.074000    
 H    5.764400      -1.865400       1.650400    
 H   -3.292900      -4.778200     -0.5157000    
 H   -2.271500      -4.641600      0.9381000    
 H   -1.525900      -5.035100     -0.6319000    
 H   -1.382700      -3.235200      -2.375800    
 H   -2.025900      -1.617700      -2.029400    
 H   -3.144300      -2.976900      -2.258900    


%chk=000115628-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000115628

0 1
O 1.030366 1.394662 0.244405
O -1.799514 -0.707544 0.091829
O 2.293007 1.384420 -1.750039
O -1.655269 -2.302045 1.811587
N 3.265802 0.999246 0.360970
N -2.044797 -2.946470 -0.416308
C -1.406006 1.695364 0.386560
C -2.649984 2.006281 -0.506928
C -0.186386 1.665221 -0.562219
C -1.540337 0.340402 1.112940
C -1.208238 2.788604 1.469435
C -4.024954 1.965948 0.198262
C -5.170047 2.369104 -0.756930
C 2.223865 1.264111 -0.498778
C 5.153630 -0.657998 -0.002744
C 4.645331 0.807581 -0.109325
C -1.820623 -2.026321 0.590321
C 4.317130 -1.613123 -0.883776
C 5.200420 -1.143653 1.466139
C -2.100305 -4.373411 -0.068234
C -2.222206 -2.593102 -1.831689
H -2.673029 1.286362 -1.349672
H -2.508413 3.013168 -0.953481
H -0.291296 0.870270 -1.321582
H -0.063005 2.635590 -1.078921
H -0.612295 0.089249 1.654150
H -2.376638 0.347112 1.834487
H -0.277293 2.615981 2.036433
H -2.050877 2.807695 2.183415
H -1.139485 3.786386 0.997677
H -4.217165 0.945674 0.582083
H -4.028392 2.644079 1.074034
H -6.151461 2.326087 -0.250038
H -5.028859 3.399314 -1.135151
H -5.212174 1.693862 -1.632560
H 6.194122 -0.640877 -0.391779
H 4.666464 1.134792 -1.163592
H 5.317623 1.472331 0.469377
H 3.048293 0.925979 1.355009
H 4.719303 -2.642089 -0.840237
H 4.311540 -1.285295 -1.938997
H 3.267570 -1.643802 -0.536952
H 4.181582 -1.219629 1.892889
H 5.794083 -0.460165 2.103145
H 5.656285 -2.148233 1.532968
H -3.080391 -4.804642 -0.350810
H -1.957735 -4.478291 1.017579
H -1.304335 -4.934991 -0.595166
H -1.433794 -3.065495 -2.450127
H -2.165270 -1.503839 -1.952996
H -3.207143 -2.945361 -2.196861


