%chk=000011458.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000011458

0 1
 O   -2.453200      0.4016000       1.214900    
 O    2.376100     -0.7722000       1.151600    
 O  -0.3625000     -0.6044000      0.7484000    
 O    1.186800       2.313500     -0.4224000    
 O   -1.603500      -3.009000      0.1664000    
 O   -3.356600      -2.141000      -1.943200    
 O   -4.660900     -0.1025000     -0.5855000    
 O    3.133700       1.307600      -2.307700    
 O    5.320500     -7.1999997E-02 -0.8953000    
 O    4.346700      -2.001900      0.9311000    
 O   -2.618800       3.129000       1.088500    
 C    1.731200      0.5001000       1.071200    
 C    1.758000       1.008700     -0.3720000    
 C   -2.395400      -1.828200      0.2436000    
 C   -2.597900      -1.232600      -1.149600    
 C   -1.709400     -0.8189000       1.167700    
 C   -3.325600      0.1109000      -1.050000    
 C    3.191200       1.063400     -0.9015000    
 C   -2.599900       1.036600     -6.4900003E-02
 C    3.927100     -0.2514000     -0.6429000    
 C   0.3045000      0.3257000       1.582100    
 C    3.757700     -0.7078000      0.8062000    
 C   -3.349800       2.344700      0.1632000    
 H    2.241500       1.205900       1.740200    
 H    1.161900      0.3664000      -1.031200    
 H   -3.367500      -2.121600      0.6576000    
 H   -1.631300      -1.099500      -1.650500    
 H   -1.681800      -1.235100       2.182200    
 H   -3.406600      0.5711000      -2.040500    
 H    3.740400       1.905700     -0.4632000    
 H   -1.599900       1.276100     -0.4463000    
 H    3.574100      -1.018400      -1.342600    
 H  -0.2069000       1.293600       1.595700    
 H   0.3310000     -7.2999999E-02   2.603400    
 H    4.284100     -5.0900001E-02   1.508200    
 H   -4.338700       2.168700      0.5983000    
 H   -3.459700       2.903600     -0.7713000    
 H    1.709900       2.893200      0.1573000    
 H   -1.498400      -3.351600       1.070300    
 H   -2.876300      -2.986500      -1.957300    
 H   -4.624600     -0.3338000      0.3577000    
 H    2.649100       2.140600      -2.438800    
 H    5.651300      0.6110000     -0.2872000    
 H    4.157700      -2.506900      0.1227000    
 H   -3.111400       3.957700       1.214800    


%chk=000011458-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000011458

0 1
O -2.447791 0.560254 0.994205
O 2.366228 -1.053200 1.017268
O -0.500926 -0.864929 1.016577
O 1.038682 2.454787 0.604662
O -1.923932 -3.159174 0.604356
O -3.458783 -2.437866 -1.793226
O -4.628247 0.117382 -0.823607
O 2.992713 2.240815 -1.506884
O 5.101056 0.390710 -1.080754
O 4.353234 -2.092653 0.316604
O -1.454896 3.134019 -0.180048
C 1.682151 0.189405 1.428958
C 1.579269 1.155396 0.219734
C -2.603975 -1.868801 0.448434
C -2.661786 -1.477727 -1.047300
C -1.920282 -0.776713 1.302204
C -3.236609 -0.054317 -1.247460
C 3.001796 1.412132 -0.296836
C -2.315334 0.901323 -0.456838
C 3.730633 0.112943 -0.662378
C 0.344963 -0.199485 2.039674
C 3.770635 -0.821814 0.566994
C -2.657443 2.375897 -0.588565
H 2.269457 0.699711 2.228105
H 0.977757 0.670198 -0.576802
H -3.630576 -2.039928 0.816444
H -1.614492 -1.461797 -1.430772
H -2.125493 -0.904325 2.381129
H -3.243595 0.181882 -2.325468
H 3.568112 1.933775 0.507370
H -1.265095 0.743120 -0.770338
H 3.163496 -0.393036 -1.478401
H -0.164736 0.715271 2.396361
H 0.501675 -0.906145 2.876069
H 4.364941 -0.375351 1.387720
H -3.518505 2.627553 0.056895
H -2.907017 2.609410 -1.641503
H 0.071319 2.568227 0.337889
H -0.945949 -2.965921 0.608601
H -3.154756 -3.343748 -1.520259
H -4.648899 0.093784 0.169593
H 2.469692 3.054948 -1.284625
H 5.056333 1.159592 -1.708719
H 3.997736 -2.467419 -0.529328
H -1.674858 4.078017 0.003663


