%chk=000155225.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000155225

0 1
 O   -13.27040       1.665700      0.2949000    
 O    11.80240       1.742800     -0.8326000    
 O    11.16500       1.094700       1.253000    
 C   -5.835000      8.9599997E-02  0.2663000    
 C   -4.729200     -0.7521000     -0.3759000    
 C   -7.218500     -0.1512000     -0.3490000    
 C   -3.359200     -0.5543000      0.2813000    
 C   -8.315900      0.7170000      0.2714000    
 C   -2.267100      -1.449600     -0.3104000    
 C   -9.698000      0.4875000     -0.3476000    
 C  -0.9187000      -1.200800      0.3742000    
 C   -10.86770       1.270400      0.2627000    
 C   0.2206000      -2.052900     -0.1950000    
 C   -12.23240      0.9198000     -0.3221000    
 C    1.555500      -1.754800      0.4269000    
 C    2.603700      -1.276700     -0.2602000    
 C    3.887800      -1.002700      0.3458000    
 C    4.934300     -0.5245000     -0.3443000    
 C    6.219200     -0.2502000      0.2618000    
 C    7.265800      0.2282000     -0.4283000    
 C    8.551600      0.5029000      0.1777000    
 C    9.591800      0.9807000     -0.5202000    
 C    10.91460       1.270600      6.9399998E-02
 H   -5.577300       1.151600      0.1716000    
 H   -5.879600     -0.1309000       1.340000    
 H   -4.658000     -0.5054000      -1.442300    
 H   -5.005400      -1.811900     -0.3135000    
 H   -7.484600      -1.208900     -0.2323000    
 H   -7.170800      4.6700001E-02  -1.426800    
 H   -3.063900      0.4973000      0.1798000    
 H   -3.445200     -0.7569000       1.356200    
 H   -8.048800       1.775100      0.1626000    
 H   -8.369000      0.5134000       1.347800    
 H   -2.549200      -2.502800     -0.1945000    
 H   -2.175400      -1.253900      -1.385300    
 H   -9.646300      0.7196000      -1.418900    
 H   -9.930800     -0.5831000     -0.2778000    
 H  -0.6577000     -0.1392000      0.2731000    
 H   -1.016000      -1.398500       1.449500    
 H   -10.69040       2.346500      0.1431000    
 H   -10.89520       1.098400       1.346200    
 H  -5.2000000E-03  -3.113800     -3.2000002E-02
 H   0.2667000      -1.909500      -1.281800    
 H   -12.24860       1.132500      -1.396200    
 H   -12.44390     -0.1446000     -0.1771000    
 H    1.648900      -1.956200       1.491700    
 H   -14.10530       1.394200     -0.1233000    
 H    2.502700      -1.081100      -1.324700    
 H    3.984200      -1.201400       1.410900    
 H    4.837600     -0.3257000      -1.409500    
 H    6.316000     -0.4488000       1.326900    
 H    7.168500      0.4267000      -1.493400    
 H    8.653200      0.3060000       1.241700    
 H    9.494300       1.179000      -1.584800    
 H    12.67560       1.929900     -0.4267000    


%chk=000155225-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000155225

0 1
O -13.372357 1.675784 0.347823
O 12.190199 1.471606 -0.688363
O 11.326732 1.056008 1.436429
C -5.974905 0.059928 0.324472
C -4.820717 -0.752633 -0.304532
C -7.344150 -0.206897 -0.340538
C -3.445604 -0.460688 0.337699
C -8.502597 0.583981 0.307545
C -2.300511 -1.306370 -0.263667
C -9.869131 0.331211 -0.368807
C -0.918510 -0.978863 0.344661
C -11.021296 1.117793 0.296039
C 0.217267 -1.866036 -0.240008
C -12.372941 0.870855 -0.378418
C 1.566867 -1.563424 0.359624
C 2.680466 -1.183198 -0.347486
C 3.964164 -0.883469 0.256450
C 5.092690 -0.509714 -0.451109
C 6.362479 -0.211910 0.162743
C 7.502106 0.161699 -0.531577
C 8.757840 0.455248 0.112542
C 9.908788 0.828571 -0.547764
C 11.144466 1.109162 0.190232
H -5.740301 1.142916 0.257360
H -6.041163 -0.176530 1.407168
H -4.769612 -0.535403 -1.392106
H -5.045204 -1.836242 -0.214766
H -7.569730 -1.292961 -0.291844
H -7.283017 0.049484 -1.419085
H -3.207779 0.617047 0.219434
H -3.504019 -0.647593 1.430431
H -8.272142 1.669106 0.270985
H -8.572087 0.317414 1.382758
H -2.522623 -2.383837 -0.113378
H -2.263974 -1.146873 -1.361615
H -9.799834 0.606953 -1.442251
H -10.093910 -0.755870 -0.339514
H -0.674955 0.087468 0.167058
H -0.957380 -1.113615 1.445361
H -10.806193 2.203644 0.264858
H -11.104681 0.837440 1.364075
H -0.046521 -2.928209 -0.044387
H 0.254675 -1.745417 -1.340330
H -12.325373 1.173028 -1.448141
H -12.629497 -0.210800 -0.332751
H 1.642789 -1.647103 1.456499
H -14.264395 1.540629 -0.060691
H 2.608921 -1.096401 -1.442492
H 4.032547 -0.962306 1.352842
H 5.029115 -0.431814 -1.546973
H 6.421240 -0.288632 1.259722
H 7.456669 0.241287 -1.627745
H 8.808061 0.378122 1.209125
H 9.945427 0.929141 -1.637376
H 13.004901 1.651682 -0.146219


