%chk=000158710.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000158710

0 1
 O  -6.7500003E-02   3.517600     -0.5042000    
 O  -0.9622000      -1.000700      0.6931000    
 O   0.6906000     -0.1718000       2.675300    
 O    1.350100      -2.663100       1.479400    
 O   -1.670900       4.433000      0.8720000    
 O    2.456300      -2.694800     -0.8482000    
 O   -1.873500     -0.9394000      -1.424800    
 C  -0.3822000       1.230500     -6.6399999E-02
 C   0.1418000     -0.1733000      0.3190000    
 C   0.6634000       2.272600     -0.4947000    
 C    1.274500     -0.2415000       1.372800    
 C    2.166900      -1.509600       1.251800    
 C    1.324300       2.066000      -1.873000    
 C   -1.124000       2.072400      0.9239000    
 C   -1.018900       3.483700      0.4768000    
 C    2.777900      -1.720600     -0.1588000    
 C    2.199900      0.8318000      -1.968100    
 C    3.285800      -1.541000       2.296500    
 C    3.790900     -0.7193000     -0.7188000    
 C    3.119500      0.5811000      -1.014600    
 C   -1.794000       1.759700       2.035200    
 C   -1.980200      -1.055300     -0.2116000    
 C    1.866600     -0.1078000      -3.092800    
 C   -3.283600      -1.245500      0.5344000    
 C   -4.364800      -1.942000     -0.3064000    
 C   -4.667300      -1.160400      -1.587400    
 C   -3.919500      -3.362200     -0.6603000    
 H   -1.069600       1.142600     -0.9167000    
 H   0.5289000     -0.6140000     -0.6015000    
 H    1.442000       2.410400      0.2644000    
 H    1.918500      0.6336000       1.293000    
 H    1.920200       2.950400      -2.133400    
 H   0.5325000       2.029400      -2.633000    
 H    3.872600     -0.6170000       2.288700    
 H    2.885700      -1.692100       3.305200    
 H    3.973000      -2.375100       2.110300    
 H    4.255400      -1.137000      -1.618300    
 H    4.598500     -0.5822000      6.5000001E-03
 H    3.323100       1.356300     -0.2785000    
 H    1.403900     -1.6000000E-03   3.313100    
 H   -1.880800      0.7385000       2.384200    
 H   -2.276800       2.520800       2.639700    
 H    1.928500      -3.444400       1.511000    
 H   0.8354000     -0.4639000      -3.003900    
 H    2.521500     -0.9821000      -3.128800    
 H    1.969400      0.4110000      -4.051900    
 H   -3.096100      -1.839900       1.436800    
 H   -3.638800     -0.2583000      0.8478000    
 H   -5.279300      -1.996700      0.2968000    
 H   -3.946800      -1.337100      -2.390200    
 H   -5.640200      -1.477100      -1.982100    
 H   -4.732000     -8.4500000E-02  -1.394700    
 H   -3.028700      -3.377100      -1.296200    
 H   -3.698500      -3.937000      0.2455000    
 H   -4.716900      -3.887100      -1.197900    


%chk=000158710-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000158710

0 1
O 0.653817 4.085147 -0.380520
O -1.335750 -0.159374 0.705552
O 0.533761 0.098036 2.629982
O 0.482826 -2.474571 1.082112
O -0.740414 5.283166 1.061380
O 1.893154 -2.654549 -1.082092
O -1.486550 -1.475214 -1.216675
C -0.188837 1.855760 -0.043201
C -0.011430 0.347963 0.260509
C 1.086055 2.650332 -0.473571
C 1.074655 -0.070620 1.281886
C 1.604513 -1.541961 1.047348
C 1.668228 2.391135 -1.873662
C -0.754635 2.791649 1.021692
C -0.344025 4.184181 0.639853
C 2.333160 -1.739191 -0.328622
C 2.215019 0.958488 -1.954412
C 2.585731 -1.936100 2.182289
C 3.542997 -0.899946 -0.759841
C 3.123358 0.543776 -1.020974
C -1.496778 2.539998 2.126908
C -1.936328 -1.149796 -0.093335
C 1.626475 0.068662 -3.030088
C -3.144544 -1.709450 0.633094
C -4.058894 -2.655366 -0.186688
C -4.670210 -1.951176 -1.421978
C -3.342692 -3.970770 -0.578727
H -0.888901 1.897371 -0.907846
H 0.210604 -0.158498 -0.694848
H 1.879149 2.527782 0.289180
H 1.946265 0.601095 1.147262
H 2.460750 3.140458 -2.060371
H 0.883370 2.553351 -2.634575
H 3.368591 -1.173229 2.354688
H 1.998261 -2.078017 3.105469
H 3.075783 -2.898801 1.957986
H 3.965286 -1.386785 -1.656752
H 4.316238 -0.920998 0.029703
H 3.536218 1.290027 -0.328059
H 1.278776 0.079819 3.282325
H -1.765537 1.519832 2.408479
H -1.813855 3.375888 2.762568
H 0.500776 -2.973427 0.211219
H 0.543412 -0.110801 -2.869781
H 2.110682 -0.918513 -3.091186
H 1.718194 0.567127 -4.014335
H -2.741914 -2.236518 1.521747
H -3.722813 -0.852152 1.028601
H -4.893137 -2.920050 0.497161
H -3.883979 -1.697468 -2.154346
H -5.401793 -2.612472 -1.921590
H -5.195526 -1.019483 -1.137446
H -2.512523 -3.769795 -1.277273
H -2.930883 -4.483583 0.311353
H -4.049656 -4.663467 -1.071551


