%chk=000096488.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000096488

0 1
 O   0.1252000     -7.8100003E-02  -1.421500    
 O  -0.2143000       2.097200      -2.102200    
 O   -2.199700      -1.194800     -4.5699999E-02
 O    2.617200     -0.3155000      0.5935000    
 O   -3.677900     -0.5731000       1.613100    
 O    1.999300      0.4497000       2.680400    
 C  -0.4481000       1.489200      0.2496000    
 C   -1.906000       1.945600      0.4721000    
 C   0.5743000       2.459400      0.8692000    
 C   -2.995900       1.020300     -7.2700001E-02
 C    2.012200       1.941700      0.7590000    
 C  -0.1722000       1.241500      -1.228000    
 C   -3.015200     -0.3237000      0.6142000    
 C    2.195700      0.6288000       1.486400    
 C   0.4055000     -0.4542000      -2.773400    
 C   -2.134400      -2.514000      0.5053000    
 C    2.839800      -1.621000       1.136500    
 C    1.889600     -0.3018000      -3.029900    
 C   -1.194900      -3.353100     -0.3343000    
 C    3.299700      -2.544100      2.8300000E-02
 H  -0.3421000      0.5310000      0.7743000    
 H   -2.041300       2.932100      1.0100000E-02
 H   -2.067300       2.081500       1.549400    
 H   0.5127000       3.433900      0.3698000    
 H   0.3260000       2.621400       1.925400    
 H   -3.980000       1.479200      8.2099997E-02
 H   -2.903000      0.8760000      -1.154900    
 H    2.707300       2.661900       1.205700    
 H    2.308400       1.840100     -0.2910000    
 H   0.1167000      -1.504500      -2.882800    
 H  -0.1910000      0.1209000      -3.490500    
 H   -3.134500      -2.961500      0.5009000    
 H   -1.763000      -2.461500       1.534900    
 H    1.909300      -2.000100       1.573700    
 H    3.610700      -1.564100       1.913000    
 H    2.143700     -0.6335000      -4.040700    
 H    2.473300     -0.8847000      -2.313300    
 H    2.201400      0.7416000      -2.917600    
 H   -1.536400      -3.391400      -1.374000    
 H  -0.1923000      -2.913200     -0.3452000    
 H   -1.127700      -4.373000      5.4400001E-02
 H    2.520400      -2.647700     -0.7332000    
 H    4.186900      -2.141300     -0.4707000    
 H    3.533500      -3.537600      0.4214000    


%chk=000096488-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000096488

0 1
O 0.554317 -0.193921 -1.492884
O -0.318991 1.864136 -2.162260
O -3.635873 -1.519398 0.027792
O 3.650322 0.026054 0.559508
O -2.706781 -0.604956 1.958827
O 2.003759 -0.021539 2.207191
C -0.385937 1.209146 0.227905
C -1.831485 1.737109 0.414932
C 0.628455 2.211637 0.859574
C -2.926567 0.774327 -0.088637
C 2.116422 1.876589 0.619973
C -0.074955 1.032302 -1.254519
C -3.048544 -0.483440 0.759632
C 2.537157 0.546813 1.227210
C 0.996449 -0.466794 -2.897452
C -3.859190 -2.800928 0.768380
C 4.179620 -1.270495 1.086662
C 2.375145 0.147203 -3.159486
C -4.467760 -3.783119 -0.227198
C 5.376566 -1.643904 0.218080
H -0.269727 0.233158 0.730466
H -1.929522 2.697064 -0.125669
H -1.989616 1.931564 1.491709
H 0.429025 3.222990 0.456173
H 0.431696 2.234603 1.947052
H -3.910121 1.284620 -0.053564
H -2.772701 0.486912 -1.143706
H 2.743382 2.662492 1.087557
H 2.375611 1.876549 -0.452675
H 1.015627 -1.567046 -2.950237
H 0.236134 -0.063396 -3.589425
H -4.526648 -2.595169 1.625018
H -2.887429 -3.144302 1.166613
H 3.367634 -2.018173 1.038118
H 4.452869 -1.129359 2.148158
H 2.750310 -0.183401 -4.145912
H 3.097013 -0.167901 -2.385700
H 2.318099 1.248888 -3.166962
H -5.425241 -3.402442 -0.622132
H -3.785073 -3.954927 -1.076840
H -4.656649 -4.752239 0.269800
H 5.076344 -1.762932 -0.837507
H 6.160148 -0.868847 0.271443
H 5.808308 -2.600029 0.566089


