%chk=000169728.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000169728

0 1
 O    3.064600     -0.7177000      5.8600001E-02
 O    2.078300       1.325800      0.6019000    
 O    6.835200      0.7955000      0.6579000    
 O    6.491400      -1.662700     -0.8235000    
 O    4.564100       2.611700      0.1844000    
 O   -6.504000      0.9484000     -0.4848000    
 O    2.547800      -3.181100      -1.046200    
 O   -4.221400      -2.088100       1.725100    
 C    5.667600      0.4851000     -0.1042000    
 C    5.465200      -1.029700     -6.3500002E-02
 C    4.464200       1.220200      0.4862000    
 C    4.100000      -1.410900     -0.6406000    
 C    3.151800      0.6968000     -9.7199999E-02
 C   -5.669500      -1.304300     -7.5499997E-02
 C   -5.542400     -6.8000001E-03 -0.9124000    
 C   -4.177900      0.5133000     -0.5769000    
 C   -3.566100     -0.2043000      0.4437000    
 C   -1.668800       1.199200      0.3741000    
 C   -2.315700      0.1103000      0.9428000    
 C   -4.450100      -1.293200      0.8307000    
 C  -0.3001000       1.591300      0.8754000    
 C    3.826400      -2.905300     -0.5039000    
 C   -2.256100       1.941300     -0.6559000    
 C   -3.523900       1.599200      -1.138100    
 C   0.8192000      0.8888000      0.1147000    
 C   -5.642600      -2.553100     -0.9464000    
 C   -1.685000     -0.6821000       2.036400    
 C   -1.552500       3.112500      -1.262600    
 H    5.865300      0.8282000      -1.127300    
 H    5.558700      -1.382100      0.9711000    
 H    4.464000       1.132200       1.579100    
 H    4.035300      -1.150400      -1.705900    
 H    3.069700      0.9619000      -1.160200    
 H   -6.574100      -1.286800      0.5430000    
 H   -5.664100     -0.1809000      -1.986000    
 H  -0.1974000       1.429900       1.955300    
 H  -0.1523000       2.676200      0.8058000    
 H    3.818100      -3.217000      0.5458000    
 H    4.566000      -3.503600      -1.043500    
 H   -3.997900       2.168800      -1.931700    
 H   0.7518000       1.105800     -0.9575000    
 H   0.7221000     -0.1958000      0.2388000    
 H   -5.696000      -3.456900     -0.3299000    
 H   -6.492600      -2.562600      -1.636200    
 H   -4.721200      -2.613700      -1.536500    
 H    7.577400      0.3037000      0.2665000    
 H    6.411900      -1.361700      -1.744800    
 H   -1.849900      -1.753700       1.885400    
 H  -0.5991000     -0.5936000       2.099100    
 H   -2.108400     -0.3906000       3.002900    
 H    4.566800       2.711100     -0.7830000    
 H  -0.5639000       2.837900      -1.640300    
 H   -2.109100       3.512100      -2.118200    
 H   -1.460500       3.926500     -0.5363000    
 H   -6.286500       1.226100      0.4217000    
 H    1.900000      -2.640800     -0.5623000    


%chk=000169728-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000169728

0 1
O 3.422543 -0.900996 0.180815
O 2.103873 1.002226 0.555730
O 6.850078 1.501510 0.136701
O 7.094804 -1.310995 -0.666679
O 4.282037 2.704298 -0.308895
O -6.639377 1.181334 -1.207408
O 3.350133 -3.655414 -0.549231
O -4.531614 -2.502478 1.235556
C 5.724902 0.720378 -0.383244
C 5.864400 -0.772517 -0.046384
C 4.456008 1.351142 0.215575
C 4.590560 -1.524854 -0.484231
C 3.217149 0.534789 -0.185144
C -6.034859 -1.045836 -0.107384
C -5.654781 0.092106 -1.099818
C -4.276458 0.549101 -0.635949
C -3.707987 -0.357503 0.296625
C -1.685213 1.007202 0.400955
C -2.401583 -0.153094 0.825485
C -4.697826 -1.441239 0.571109
C -0.272467 1.257061 0.915530
C 4.557788 -2.995232 -0.055719
C -2.273883 1.932905 -0.525543
C -3.572923 1.692030 -1.042337
C 0.787940 0.610871 0.005445
C -6.798699 -2.236195 -0.711001
C -1.810996 -1.127534 1.831717
C -1.536199 3.189378 -0.957746
H 5.673441 0.826225 -1.494263
H 6.034461 -0.904911 1.036251
H 4.539851 1.350072 1.321814
H 4.466019 -1.458598 -1.591906
H 3.046509 0.594584 -1.287236
H -6.657248 -0.593312 0.695803
H -5.614505 -0.300440 -2.132039
H -0.140947 0.851617 1.933078
H -0.051464 2.336757 0.971296
H 4.626696 -3.048738 1.051298
H 5.406755 -3.541762 -0.495641
H -4.022778 2.391975 -1.754654
H 0.703227 0.983344 -1.037264
H 0.695828 -0.492230 -0.002160
H -6.966771 -3.013037 0.054663
H -7.775335 -1.909441 -1.109258
H -6.224125 -2.696251 -1.535657
H 7.686628 1.016903 -0.088148
H 6.972780 -1.341820 -1.652087
H -2.457824 -2.010106 1.943902
H -0.802677 -1.465740 1.530912
H -1.703145 -0.651318 2.825884
H 5.120368 3.199957 -0.118730
H -0.527811 2.971355 -1.354138
H -2.097617 3.724209 -1.741621
H -1.398544 3.887844 -0.109881
H -6.680664 1.655859 -0.337374
H 2.575344 -3.135144 -0.212272


