%chk=000044228.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000044228

0 1
 O    3.925800      0.8645000     -0.9058000    
 O  -7.8500003E-02  -1.700300      0.7441000    
 N    4.822400     -0.2799000      0.9059000    
 N  -0.9724000     -0.5375000      -1.055100    
 N   -2.210000      -1.084200     -0.8771000    
 C    2.491700     -0.5885000      0.3991000    
 C    1.344100     -0.2101000     -0.5313000    
 C    3.804400      8.8600002E-02  3.8400002E-02
 C   3.9000001E-02 -0.9091000     -0.1879000    
 C    6.172200      0.2218000      0.7905000    
 C   -3.241200     -0.2966000     -0.3510000    
 C    6.311100       1.177300     -0.3766000    
 C   -4.423500     -0.8913000      0.1058000    
 C   -3.101500       1.094400     -0.2762000    
 C   -5.451000     -0.1066000      0.6294000    
 C   -4.129000       1.879100      0.2475000    
 C   -5.303800       1.278500      0.7002000    
 H    2.238100     -0.3187000       1.431700    
 H    2.649400      -1.673900      0.3739000    
 H    1.604800     -0.4628000      -1.566500    
 H    1.174300      0.8730000     -0.4922000    
 H    4.622900     -0.9302000       1.660400    
 H    6.422300      0.7179000       1.733400    
 H    6.836100     -0.6399000      0.6710000    
 H  -0.8577000      8.0300003E-02  -1.851500    
 H   -2.293000      -2.092200     -0.9075000    
 H    6.139700      0.6982000      -1.346200    
 H    5.716000       2.088700     -0.2583000    
 H    7.353400       1.520100     -0.4088000    
 H   -4.551900      -1.970000      5.6699999E-02
 H   -2.205900       1.602800     -0.6235000    
 H   -6.365700     -0.5741000      0.9819000    
 H   -4.015600       2.957900      0.3016000    
 H   -6.103900       1.889500       1.107600    


%chk=000044228-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000044228

0 1
O 4.142344 -1.016946 -1.206028
O -0.205532 -1.695757 0.700172
N 4.698284 0.189491 0.708389
N -1.069936 -0.709451 -1.218784
N -2.376562 -1.167510 -0.990726
C 2.329728 -0.364436 0.331462
C 1.354408 -0.555353 -0.842766
C 3.790170 -0.423445 -0.138750
C -0.016483 -1.027616 -0.357642
C 6.151838 0.192415 0.464134
C -3.313245 -0.321573 -0.331753
C 6.712127 1.611873 0.240017
C -4.535748 -0.889980 0.119077
C -3.088929 1.070281 -0.174480
C -5.513005 -0.073468 0.722029
C -4.079087 1.876616 0.428401
C -5.295913 1.316739 0.879840
H 2.125227 0.579212 0.871926
H 2.151900 -1.186267 1.053546
H 1.792510 -1.322488 -1.512942
H 1.264245 0.369633 -1.443334
H 4.345300 0.659135 1.544776
H 6.668477 -0.293293 1.315382
H 6.311407 -0.435141 -0.428948
H -0.888112 -0.284391 -2.131431
H -2.412449 -2.160999 -0.740770
H 6.237733 2.083319 -0.638190
H 6.539041 2.261438 1.118704
H 7.802347 1.567593 0.063669
H -4.715205 -1.965479 -0.002530
H -2.143107 1.510094 -0.506048
H -6.448615 -0.525503 1.070572
H -3.893453 2.950278 0.548871
H -6.058606 1.947679 1.347754


