%chk=000157713.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000157713

0 1
 O   0.3018000     -0.7155000      0.6146000    
 O    3.487500      -1.887100     -0.4960000    
 O    1.696700      -2.983000      0.4579000    
 O   -3.100400     -0.2773000      -1.630600    
 O  -0.4881000      -1.096500      -1.513800    
 O   -2.909100       1.898700     -0.7892000    
 C    2.413800      0.3405000       1.052400    
 C    1.626000     -0.5776000      0.1152000    
 C    2.110000       1.798900      0.8056000    
 C    2.245800      -1.960900      6.7599997E-02
 C    1.070700       2.421800       1.496900    
 C    2.868200       2.523300     -0.1143000    
 C  -0.6624000     -0.9746000     -0.3112000    
 C   -1.993700      -1.094000      0.3350000    
 C   0.7901000       3.768900       1.268500    
 C    2.587500       3.870400     -0.3426000    
 C    1.548500       4.493200      0.3487000    
 C   -3.156400     -0.7411000     -0.3502000    
 C    4.180600      -3.132100     -0.6275000    
 C   -2.072500      -1.565100       1.645600    
 C   -4.397700     -0.8596000      0.2752000    
 C   -3.313700      -1.683400       2.270900    
 C   -4.476200      -1.330600       1.585800    
 C    5.530500      -2.880100      -1.264700    
 C   -2.970100       1.116900      -1.728800    
 C   -2.917500       1.525900      -3.171100    
 H    2.188200      9.9699996E-02   2.100000    
 H    3.495500      0.1922000      0.9423000    
 H    1.621800     -0.1726000     -0.9053000    
 H   0.4713000       1.868100       2.214700    
 H    3.678700       2.048400     -0.6608000    
 H  -1.9700000E-02   4.253600       1.806100    
 H    3.177400       4.434200      -1.059400    
 H    1.329500       5.542000      0.1705000    
 H   -1.186100      -1.860200       2.200800    
 H    3.595100      -3.811300      -1.256900    
 H    4.316800      -3.580400      0.3630000    
 H   -5.307800     -0.5874000     -0.2523000    
 H   -3.375500      -2.053000       3.290300    
 H   -5.442700      -1.423500       2.072500    
 H    6.089000      -3.813300      -1.380100    
 H    6.120700      -2.187600     -0.6555000    
 H    5.411200      -2.415200      -2.248900    
 H   -2.055500       1.059900      -3.654900    
 H   -2.809800       2.612300      -3.236400    
 H   -3.844500       1.235300      -3.671100    


%chk=000157713-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000157713

0 1
O 0.276936 -0.345680 0.676620
O 3.289375 -1.761851 -0.847056
O 1.497976 -2.820595 0.211993
O -3.345945 -0.772905 -1.714009
O -0.530204 -0.718400 -1.472052
O -2.629715 1.451715 -1.946525
C 2.550276 0.375592 1.156200
C 1.641859 -0.332028 0.119563
C 2.302630 1.875242 1.237700
C 2.087041 -1.781077 -0.145907
C 1.206654 2.399014 1.970439
C 3.162581 2.778513 0.561905
C -0.758593 -0.587648 -0.244985
C -2.080211 -0.664240 0.434928
C 0.974615 3.791210 2.023421
C 2.933570 4.172356 0.613035
C 1.837293 4.683269 1.344849
C -3.300609 -0.746570 -0.297322
C 3.871246 -3.099408 -1.193143
C -2.149795 -0.721275 1.854475
C -4.536034 -0.888382 0.364963
C -3.381622 -0.858686 2.520915
C -4.579641 -0.947280 1.773001
C 5.167000 -2.833569 -1.950772
C -2.866411 0.350443 -2.466113
C -2.733407 -0.047454 -3.911074
H 2.384578 -0.109179 2.136460
H 3.594831 0.179967 0.855623
H 1.643267 0.210305 -0.842905
H 0.529814 1.711690 2.489941
H 4.017342 2.388429 -0.005193
H 0.120392 4.179562 2.589338
H 3.608373 4.856478 0.086097
H 1.656588 5.763273 1.385469
H -1.214785 -0.674797 2.417647
H 3.127269 -3.646770 -1.799094
H 4.032142 -3.658745 -0.253883
H -5.446385 -0.949872 -0.238416
H -3.409127 -0.905110 3.614201
H -5.542955 -1.059439 2.281905
H 5.633842 -3.793298 -2.238064
H 5.883738 -2.272993 -1.326543
H 4.974335 -2.252840 -2.868733
H -1.809249 -0.645205 -4.008441
H -2.658128 0.848122 -4.544685
H -3.579245 -0.678684 -4.227274


