%chk=000159472.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000159472

0 1
 O   -2.805200      -1.893700      0.7184000    
 O   -4.000800      0.2483000       1.825900    
 O   -3.642300       1.545600      -1.563600    
 C   -3.670000      -1.125400     -0.1253000    
 C   -2.211000      -1.326400     -0.4590000    
 C   -4.109200      0.2058000      0.4037000    
 C   -1.253300     -0.1709000     -0.2558000    
 C   -3.286400       1.358400     -0.1955000    
 C   -1.789000       1.130900     -0.1365000    
 C   0.1606000     -0.3521000     -0.1790000    
 C    1.036100      0.7591000     -1.4600000E-02
 C  -0.9377000       2.222400      1.3000000E-02
 C   0.7273000      -1.634700     -0.2609000    
 C   0.4415000       2.036900      7.1999997E-02
 C    2.462500      0.5524000      5.5799998E-02
 C    2.102800      -1.838300     -0.1916000    
 C    2.976600     -0.7646000     -3.5799999E-02
 C  -3.4299999E-02  -2.920600     -0.3800000    
 C    3.417200       1.590600      0.2148000    
 C    4.360200      -1.005200      2.9700000E-02
 C    4.791200       1.340500      0.2784000    
 C    5.263000      4.1000001E-02  0.1858000    
 H   -4.421700      -1.648000     -0.6998000    
 H   -2.123900      -1.898100      -1.377800    
 H   -5.169100      0.3386000      0.1563000    
 H   -3.526600       2.285000      0.3412000    
 H   -1.339100       3.229900      8.9199997E-02
 H   -4.348700       1.106800       2.121700    
 H    1.043700       2.933500      0.1936000    
 H   -4.594500       1.740100      -1.595000    
 H    2.516200      -2.844200     -0.2560000    
 H  -0.7300000      -3.066000      0.4472000    
 H  -0.4903000      -3.030200      -1.366200    
 H   0.6302000      -3.792300     -0.3013000    
 H    3.110200       2.630300      0.2934000    
 H    4.750300      -2.019000     -4.1000001E-02
 H    5.486900       2.165600      0.4005000    
 H    6.328800     -0.1596000      0.2347000    


%chk=000159472-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000159472

0 1
O -2.883079 -2.001889 0.616959
O -4.023483 0.190678 1.875528
O -3.623088 1.553195 -1.629674
C -3.720542 -1.062288 -0.199958
C -2.286001 -1.247141 -0.578976
C -4.155943 0.268129 0.419598
C -1.282138 -0.179250 -0.272462
C -3.289470 1.400631 -0.189613
C -1.800729 1.125586 -0.108329
C 0.141777 -0.427747 -0.178404
C 1.023215 0.715681 0.002555
C -0.924561 2.217663 0.104764
C 0.745013 -1.769316 -0.229925
C 0.453634 2.015968 0.141117
C 2.479718 0.551534 0.053092
C 2.126353 -1.888868 -0.153121
C 3.025302 -0.773539 -0.034706
C -0.044447 -3.068188 -0.323678
C 3.395526 1.642664 0.182090
C 4.439943 -0.974306 0.012754
C 4.780600 1.430883 0.223666
C 5.312284 0.111571 0.139862
H -4.482447 -1.577821 -0.796691
H -2.075843 -1.903991 -1.428216
H -5.217409 0.459559 0.139582
H -3.509999 2.353328 0.343368
H -1.338265 3.226099 0.219232
H -4.251045 1.076737 2.260027
H 1.104641 2.880555 0.290480
H -4.561224 1.869931 -1.710472
H 2.568648 -2.892804 -0.177707
H -0.882507 -3.111318 0.390738
H -0.459653 -3.233249 -1.335908
H 0.624261 -3.920092 -0.112999
H 3.028314 2.670988 0.244518
H 4.830423 -1.996767 -0.052812
H 5.458768 2.285929 0.319856
H 6.395651 -0.046338 0.174466


