%chk=000108168.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000108168

0 1
 O   -1.609300       2.840800     -1.0000000E-03
 O   0.5009000       3.975900     -1.4100000E-02
 O    3.610600     -0.2352000       1.225300    
 O    3.775900     -0.3166000      -1.040200    
 O    2.286600      -2.659700      -1.121400    
 O    2.300100      -2.658700       1.073800    
 N    1.793800      -2.326700     -2.0900000E-02
 C  -0.6764000      0.5430000     -7.4000000E-03
 C   0.5739000     -0.1396000     -1.4600000E-02
 C   -1.901600     -0.2343000      9.9999997E-05
 C  -0.5714000       1.950900     -8.2999999E-03
 C   -1.816000      -1.652400      1.0000000E-03
 C    1.799100      0.5671000     -2.2500001E-02
 C   0.6055000      -1.535000     -1.3900000E-02
 C   0.6378000       2.621300     -1.5600000E-02
 C  -0.5687000      -2.278900     -6.0000001E-03
 C    1.839300       1.957500     -2.3200000E-02
 C   -3.212000      0.3099000      6.8000001E-03
 C  -0.9286000       4.106500     -5.4000001E-03
 C   -2.975700      -2.446600      8.5000005E-03
 C   -4.358800     -0.4906000      1.4100000E-02
 C   -4.240600      -1.870300      1.4900000E-02
 C    3.135500     -2.8500000E-02 -2.9899999E-02
 H  -0.5170000      -3.368300     -5.5000000E-03
 H    2.774300       2.508700     -2.9100001E-02
 H   -3.380800       1.381500      6.3999998E-03
 H   -1.226500       4.669400      0.8865000    
 H   -1.237300       4.669000     -0.8939000    
 H   -2.903100      -3.532900      9.1000004E-03
 H   -5.341600     -2.8000001E-02  1.8999999E-02
 H   -5.127100      -2.496800      2.0600000E-02
 H    4.506200     -0.6355000       1.216000    


%chk=000108168-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000108168

0 1
O -1.652487 2.809165 0.105434
O 0.424215 3.985000 0.209318
O 4.267222 0.599692 0.130408
O 3.296938 -1.124641 -1.078231
O 1.795607 -3.712673 0.326506
O 2.545495 -1.931291 1.529392
N 1.726318 -2.481065 0.694058
C -0.644107 0.473841 0.065615
C 0.639890 -0.217822 0.099231
C -1.902452 -0.265034 -0.058893
C -0.573567 1.887928 0.127099
C -1.856331 -1.704399 -0.116477
C 1.869135 0.530156 0.024030
C 0.575687 -1.667064 0.214701
C 0.639718 2.587155 0.184587
C -0.601676 -2.376054 0.067137
C 1.873704 1.942581 0.100203
C -3.179897 0.368244 -0.153924
C -1.039155 4.144822 0.366732
C -3.057770 -2.458601 -0.279466
C -4.349050 -0.392149 -0.317640
C -4.294428 -1.812389 -0.386200
C 3.161815 -0.117021 -0.343892
H -0.573702 -3.466902 0.149419
H 2.812565 2.496236 0.058778
H -3.248234 1.455783 -0.109113
H -1.268081 4.441125 1.407089
H -1.411054 4.859043 -0.382874
H -2.994364 -3.551823 -0.316711
H -5.315625 0.117378 -0.395419
H -5.213977 -2.392270 -0.515667
H 5.094649 0.139951 -0.176030


