%chk=000128984.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000128984

0 1
 O  -0.1524000      5.8200002E-02 -0.2462000    
 O    3.810700     -0.8050000       1.766600    
 O   0.6878000      -2.370300      0.4776000    
 O  -0.9499000      -1.837000      -1.281500    
 N    1.880300       2.041600     -0.8547000    
 N    1.519300       3.016900     -0.1768000    
 N    1.187200       3.920300      0.4353000    
 C    2.124700      0.8025000     -0.1028000    
 C    3.591000      0.4061000     -0.3003000    
 C    3.912700     -0.9387000      0.3500000    
 C    1.174700     -0.2751000     -0.6188000    
 C    2.981800      -2.047200     -0.1303000    
 C    1.532800      -1.622700     -1.3100000E-02
 C   -1.124900     -0.8112000     -0.6423000    
 C   -2.462700     -0.3497000     -0.1931000    
 C   -3.437600      -1.288600      7.6499999E-02
 C   -2.689300       1.004600     -5.7500001E-02
 C   -4.693500     -0.8539000      0.5002000    
 C   -3.945300       1.439200      0.3662000    
 C   -4.947400      0.5098000      0.6450000    
 H    1.937200      0.9624000      0.9694000    
 H    3.820800      0.3549000      -1.372600    
 H    4.231200       1.189800      0.1240000    
 H    4.948200      -1.219200      0.1273000    
 H    1.236100     -0.3547000      -1.712000    
 H    3.124000      -2.949300      0.4750000    
 H    3.174700      -2.293900      -1.179700    
 H    4.437500     -0.1147000       2.042600    
 H   -3.250700      -2.353100     -2.8899999E-02
 H   -1.930500       1.748800     -0.2804000    
 H   -5.473600      -1.577500      0.7181000    
 H   -4.144100       2.501200      0.4763000    
 H   -5.925400      0.8482000      0.9744000    


%chk=000128984-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000128984

0 1
O -0.079979 0.008623 -0.050261
O 4.050308 -0.455956 1.792997
O 0.891198 -2.271351 1.162958
O -0.960632 -1.563952 -1.532948
N 1.901624 1.874196 -1.179819
N 0.892479 2.605451 -0.939443
N 0.010690 3.396492 -0.886641
C 2.221950 0.754457 -0.232786
C 3.668553 0.321078 -0.536478
C 4.103130 -0.850344 0.369212
C 1.261472 -0.442141 -0.426804
C 3.157671 -2.062389 0.254848
C 1.694331 -1.661644 0.424892
C -1.152734 -0.690493 -0.655284
C -2.471665 -0.235177 -0.146588
C -3.635281 -0.831682 -0.699917
C -2.592751 0.760428 0.857504
C -4.910701 -0.433933 -0.252785
C -3.872105 1.155145 1.300413
C -5.031243 0.560600 0.747654
H 2.141767 1.097213 0.818234
H 3.745264 0.023688 -1.600303
H 4.341059 1.187244 -0.396661
H 5.132677 -1.162122 0.097510
H 1.258069 -0.754766 -1.492350
H 3.410259 -2.815922 1.017842
H 3.284376 -2.522354 -0.745775
H 4.730960 0.243448 1.964664
H -3.516281 -1.599509 -1.471386
H -1.690664 1.209520 1.280796
H -5.807807 -0.895062 -0.679270
H -3.967191 1.924155 2.074295
H -6.023403 0.869757 1.095179


