%chk=000080191.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000080191

0 1
 O   0.3471000      0.3324000       1.385900    
 O    3.143000      0.4420000       1.154200    
 N    1.596800      8.2000002E-02 -0.5595000    
 N    3.854900      0.1264000      -1.007400    
 C  -0.8317000     -6.0100000E-02 -0.7080000    
 C   -2.016500      0.8016000     -0.2212000    
 C   -1.143500      -1.562000     -0.8567000    
 C   -1.790900       2.317500     -0.2554000    
 C   -1.512000      -2.233700      0.4685000    
 C   0.4087000      0.1386000      0.1742000    
 C   -3.036400       3.069300      0.1920000    
 C   -1.901000      -3.689800      0.2627000    
 C    2.881500      0.2358000     -2.9300001E-02
 H  -0.5820000      0.3065000      -1.714000    
 H   -2.277700      0.5229000      0.8071000    
 H   -2.891900      0.5640000     -0.8395000    
 H  -0.2746000      -2.075500      -1.287500    
 H   -1.968300      -1.682900      -1.569900    
 H   -1.527900       2.627800      -1.273000    
 H  -0.9542000       2.593400      0.3953000    
 H   -2.355100      -1.719400      0.9407000    
 H  -0.6694000      -2.191900       1.166800    
 H   -2.858800       4.148900      0.1589000    
 H   -3.886200       2.845000     -0.4604000    
 H   -3.309200       2.801100       1.217700    
 H   -2.769400      -3.774600     -0.3985000    
 H   -1.075600      -4.257300     -0.1789000    
 H   -2.157400      -4.152900       1.220700    
 H    1.535900     -9.0800002E-02  -1.559100    
 H    4.839600      0.2145000     -0.7799000    
 H    3.618700     -4.4000000E-02  -1.979100    


%chk=000080191-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000080191

0 1
O 0.372819 0.394361 1.378554
O 3.188628 -0.524293 1.104450
N 1.607252 0.032249 -0.590091
N 3.910892 0.223157 -0.983337
C -0.859528 -0.011902 -0.725402
C -2.036325 0.823551 -0.170409
C -1.191039 -1.538151 -0.837210
C -1.858535 2.344691 -0.378966
C -1.558966 -2.232370 0.494521
C 0.402528 0.170642 0.144637
C -3.055277 3.158077 0.158463
C -1.815611 -3.742436 0.301795
C 2.927681 -0.109891 -0.048852
H -0.633535 0.345860 -1.754966
H -2.140022 0.619101 0.911418
H -2.972556 0.488794 -0.661946
H -0.326687 -2.069123 -1.288602
H -2.034334 -1.646788 -1.549896
H -1.722187 2.556474 -1.460456
H -0.932356 2.674236 0.131783
H -2.461376 -1.758374 0.925854
H -0.748031 -2.081860 1.231649
H -2.910903 4.242682 0.001433
H -3.995309 2.864493 -0.346409
H -3.188908 2.988627 1.243067
H -2.637130 -3.921926 -0.418143
H -0.912860 -4.253678 -0.083093
H -2.092606 -4.224958 1.256638
H 1.511818 -0.040513 -1.606320
H 4.878277 0.086322 -0.696501
H 3.720687 0.777751 -1.816263


