%chk=000115334.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000115334

0 1
 O   0.5169000       1.963500       2.641300    
 O    1.667400       3.560500       1.495500    
 C   -2.558800       2.653800      -1.515600    
 C   -3.845400       1.985700      -1.017000    
 C   -1.531600       1.655100      -2.054700    
 C    3.407500       1.678300      0.3217000    
 C    4.204800      0.5307000     -0.3115000    
 C   -3.590000      0.9922000      8.0499999E-02
 C    2.262900       1.229700       1.229300    
 C  -0.2681000       2.360600      -2.520500    
 C    3.347700     -0.3894000      -1.130800    
 C   -3.925200     -0.3072000      9.1899998E-02
 C   -3.669300      -1.298100       1.188700    
 C    2.309700      -2.607200      -1.673700    
 C    3.145800      -1.682300     -0.8366000    
 C  -0.5323000      -3.606500      0.8744000    
 C   -2.718700      -2.376800      0.7607000    
 C    1.091400      -3.176000     -0.9932000    
 C   -1.503400      -2.545600       1.303200    
 C   0.7129000      -3.008800      0.2843000    
 C    1.475700       2.387600       1.782100    
 H   -2.818900       3.372100      -2.302700    
 H   -2.109800       3.231700     -0.6974000    
 H   -4.353800       1.502000      -1.859800    
 H   -4.524000       2.758400     -0.6372000    
 H   -1.963500       1.093600      -2.891000    
 H   -1.253500      0.9287000      -1.283200    
 H    3.006000       2.314700     -0.4784000    
 H    4.098200       2.311100      0.8935000    
 H    4.721200     -2.4499999E-02  0.4812000    
 H    4.984500      0.9498000     -0.9583000    
 H   -3.084200       1.390900      0.9585000    
 H    2.668200      0.6550000       2.069500    
 H    1.558500      0.5997000      0.6755000    
 H   0.4523000       1.632100      -2.906200    
 H  -0.4887000       3.076000      -3.319100    
 H   0.2066000       2.901000      -1.695000    
 H    2.876200      3.9400000E-02  -2.011700    
 H   -4.440300     -0.7019000     -0.7829000    
 H   -3.297100     -0.7836000       2.083300    
 H   -4.621300      -1.760800       1.474500    
 H    1.975900      -2.095300      -2.585000    
 H    2.942000      -3.441600      -2.000100    
 H    3.632400      -2.110200      3.6899999E-02
 H   -1.003300      -4.300300      0.1672000    
 H  -0.2538000      -4.203000       1.751100    
 H   -3.047200      -3.041500     -3.4800000E-02
 H   0.4618000      -3.788300      -1.636900    
 H   -1.180400      -1.880400       2.101300    
 H    1.318200      -2.410400      0.9601000    
 H  -5.2000000E-03   2.710000       3.005300    


%chk=000115334-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000115334

0 1
O 0.029929 1.406676 2.676135
O 0.443455 3.006741 1.048226
C -2.321629 2.857183 -1.458909
C -3.617818 2.191015 -0.916220
C -1.364741 1.870373 -2.164904
C 2.909135 1.624637 0.240579
C 3.931027 0.584204 -0.301133
C -3.357145 1.213183 0.211496
C 1.873731 0.982260 1.184517
C -0.088507 2.564117 -2.688276
C 3.264650 -0.481902 -1.146850
C -3.718501 -0.095846 0.229822
C -3.430988 -1.063178 1.369256
C 2.506107 -2.848984 -1.692277
C 3.255470 -1.813984 -0.879227
C -0.416500 -3.621166 0.917136
C -2.565252 -2.232327 0.921840
C 1.294229 -3.446887 -0.981388
C -1.317142 -2.488768 1.389151
C 0.831222 -3.075441 0.239587
C 0.756633 1.920264 1.584803
H -2.602673 3.663004 -2.167872
H -1.780030 3.345739 -0.623179
H -4.147610 1.675421 -1.742123
H -4.295232 2.992900 -0.553248
H -1.898751 1.380380 -3.005649
H -1.090517 1.061208 -1.459589
H 2.381106 2.102910 -0.605484
H 3.448840 2.432647 0.769984
H 4.474664 0.113022 0.541774
H 4.684790 1.128640 -0.905663
H -2.815158 1.624229 1.080604
H 2.348058 0.586895 2.102324
H 1.402727 0.109010 0.687651
H 0.590348 1.845166 -3.185518
H -0.338171 3.354282 -3.422161
H 0.460460 3.040830 -1.854537
H 2.711398 -0.114883 -2.027862
H -4.244340 -0.515613 -0.642693
H -2.933702 -0.527293 2.200016
H -4.393024 -1.455145 1.764664
H 2.165657 -2.396252 -2.646755
H 3.190584 -3.676382 -1.978781
H 3.793927 -2.185072 0.007196
H -0.965939 -4.290238 0.228367
H -0.118013 -4.234527 1.795190
H -2.993022 -2.886240 0.145198
H 0.756142 -4.226982 -1.543217
H -0.886948 -1.816209 2.149260
H 1.368242 -2.292496 0.796188
H -0.714274 2.033077 2.890750


