%chk=000100577.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000100577

0 1
 O   0.5176000       2.391800     -0.9423000    
 O   -5.618900      0.2385000       1.211900    
 C    2.910400       2.217000      0.5834000    
 C    2.535500      -2.747400      0.2344000    
 C    2.176300       1.014600      8.7600000E-02
 C    1.985300      -1.347500     -8.5500002E-02
 C    2.674600     -0.2553000      0.3787000    
 C    1.005200       1.150100     -0.6582000    
 C   0.3327000      1.5699999E-02  -1.112800    
 C   0.8310000      -1.254100     -0.8214000    
 C    2.012500       3.077600       1.524200    
 C    3.414400       3.197900     -0.5255000    
 C    4.182200       1.808700       1.388200    
 C    2.845100      -3.496400      -1.079800    
 C    1.487600      -3.546100       1.039400    
 C    3.836700      -2.732200       1.068300    
 C  -0.9221000      0.1405000      -1.912400    
 C   -2.183400      0.1667000      -1.073800    
 C   -2.670800       1.381900     -0.6280000    
 C   -2.817500      -1.025300     -0.7733000    
 C   -3.832000       1.405900      0.1444000    
 C   -3.978800      -1.001300     -8.9999998E-04
 C   -4.486200      0.2144000      0.4580000    
 C   -6.237300      -1.015800       1.495200    
 H    3.576100     -0.3856000      0.9502000    
 H   0.3033000      -2.132400      -1.178500    
 H    2.597500       3.872900       2.002000    
 H    1.184000       3.567900       1.006000    
 H    1.585400       2.460300       2.323600    
 H    4.006000       4.015300     -9.6799999E-02
 H    4.047300       2.666300      -1.245700    
 H    2.594900       3.654600      -1.087700    
 H    3.939200       1.221700       2.282200    
 H    4.911100       1.268400      0.7721000    
 H    4.702400       2.703300       1.755200    
 H    3.280600      -4.482300     -0.8786000    
 H    1.949100      -3.663600      -1.687500    
 H    3.560000      -2.936200      -1.694200    
 H   0.5643000      -3.714000      0.4743000    
 H    1.873400      -4.533800       1.318000    
 H    1.216900      -3.021900       1.963800    
 H    4.180300      -3.755600       1.265800    
 H    4.657300      -2.227500      0.5447000    
 H    3.694200      -2.260700       2.048000    
 H  -0.9860000     -0.7168000      -2.599900    
 H  -0.9086000      0.9843000      -2.611300    
 H  -7.2800003E-02   2.381800      -1.708200    
 H   -2.181300       2.318700     -0.8720000    
 H   -2.430300      -1.976900      -1.125900    
 H   -4.223800       2.356100      0.4972000    
 H   -4.436000      -1.963000      0.2056000    
 H   -5.583400      -1.661100       2.091600    
 H   -6.585000      -1.508600      0.5809000    
 H   -7.123700     -0.8091000       2.103900    


%chk=000100577-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000100577

0 1
O -0.199645 1.555827 -0.806929
O -5.727997 0.664591 1.386563
C 2.391326 2.275742 0.336729
C 3.435294 -2.810642 0.402732
C 1.963438 0.813908 0.052602
C 2.482178 -1.632036 0.087821
C 2.825793 -0.279652 0.329069
C 0.689426 0.499131 -0.499292
C 0.308208 -0.843964 -0.781774
C 1.206606 -1.886335 -0.473931
C 1.416419 2.920737 1.369438
C 2.371630 3.097578 -0.989182
C 3.825009 2.365621 0.924723
C 3.747058 -3.592723 -0.909370
C 2.753176 -3.774095 1.421037
C 4.780602 -2.340204 1.013424
C -1.028091 -1.142195 -1.456851
C -2.266944 -0.613236 -0.723992
C -2.432397 -0.819821 0.675363
C -3.304725 0.049314 -1.423864
C -3.589388 -0.386685 1.342967
C -4.476878 0.496421 -0.768476
C -4.619129 0.273950 0.622694
C -6.819186 1.355480 0.694434
H 3.806170 -0.060042 0.754671
H 0.896280 -2.915807 -0.694137
H 1.722799 3.964738 1.573371
H 0.383988 2.926974 0.986205
H 1.435372 2.363739 2.324921
H 2.672493 4.143384 -0.786320
H 3.081732 2.671576 -1.722714
H 1.365662 3.101557 -1.437117
H 3.909456 1.838896 1.893654
H 4.584481 1.955186 0.233183
H 4.073790 3.428503 1.100074
H 4.413858 -4.450360 -0.697250
H 2.827107 -3.986921 -1.377414
H 4.246803 -2.937691 -1.646425
H 1.803745 -4.178628 1.026320
H 3.418364 -4.629559 1.646012
H 2.529619 -3.249458 2.368150
H 5.419448 -3.218157 1.222097
H 5.335556 -1.679272 0.322053
H 4.631009 -1.799650 1.966469
H -1.118186 -2.240058 -1.567993
H -1.026185 -0.727714 -2.486053
H -1.130749 1.207133 -0.867802
H -1.636566 -1.320081 1.239316
H -3.204055 0.215740 -2.504009
H -3.720948 -0.542503 2.418123
H -5.254097 1.008017 -1.343925
H -7.266461 0.715901 -0.091312
H -6.472951 2.307379 0.246717
H -7.566815 1.562860 1.473801


