%chk=000100941.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000100941

0 1
 O   -2.731400     -0.1033000     -0.1109000    
 O   -4.370100      -1.468700      0.7894000    
 C   5.6100000E-02  0.3186000     -0.2619000    
 C    1.409600      6.7800000E-02  0.3760000    
 C   0.1933000      0.2015000       1.237200    
 C  -3.2099999E-02   1.809000     -0.6051000    
 C   0.8673000       2.280700      0.6148000    
 C    2.147500       1.394300      0.4743000    
 C   0.2011000       1.584700       1.842300    
 C    2.141400      -1.243900      0.1994000    
 C  -0.6429000     -0.7297000      -1.087000    
 C    1.161000      -2.351100     -0.2699000    
 C   0.2871000      -1.901500      -1.443800    
 C   -1.460300       2.362200     -0.5506000    
 C   0.5796000       2.146000      -1.971100    
 C    3.273900      -1.091100     -0.8381000    
 C    2.775400      -1.678800       1.533800    
 C   -1.930100      -1.226100     -0.4216000    
 C   -3.926400     -0.3705000      0.4928000    
 H  -0.1961000     -0.6098000       1.820400    
 H    1.038100       3.353800      0.7080000    
 H    2.737800       1.638300     -0.4112000    
 H    2.785800       1.447600       1.362600    
 H   0.8276000       1.631700       2.739100    
 H  -0.7975000       1.953500       2.081400    
 H  -0.9449000     -0.2646000      -2.034500    
 H   0.5120000      -2.660400      0.5590000    
 H    1.722500      -3.247200     -0.5635000    
 H   0.9285000      -1.603800      -2.281600    
 H  -0.3026000      -2.752000      -1.807100    
 H   -2.066000       1.978400      -1.378800    
 H   -1.989500       2.143500      0.3782000    
 H   -1.439800       3.454000     -0.6494000    
 H  -0.1050000       1.875700      -2.783300    
 H   0.7823000       3.219300      -2.051000    
 H    1.508900       1.605200      -2.171600    
 H    3.743500      -2.056000      -1.059400    
 H    2.910100     -0.6671000      -1.779800    
 H    4.062600     -0.4240000     -0.4715000    
 H    3.314200      -2.626900       1.425800    
 H    3.485600     -0.9293000       1.900700    
 H    2.016600      -1.813500       2.312700    
 H   -1.714900      -1.787800      0.4943000    
 H   -2.473500      -1.883900      -1.110800    
 H   -4.445000      0.5825000      0.6785000    


%chk=000100941-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000100941

0 1
O -2.957233 -0.236490 -0.251645
O -4.272545 -1.659119 1.067793
C 0.029222 0.351066 -0.254683
C 1.427696 0.063091 0.386192
C 0.175500 0.237850 1.285083
C -0.000266 1.873683 -0.591914
C 0.914971 2.327081 0.614583
C 2.168860 1.414359 0.469240
C 0.226911 1.665100 1.851276
C 2.152243 -1.278359 0.203410
C -0.688954 -0.708994 -1.101944
C 1.132135 -2.355070 -0.289664
C 0.276194 -1.874946 -1.484201
C -1.407573 2.515328 -0.549489
C 0.619190 2.179264 -1.979150
C 3.294524 -1.127912 -0.841328
C 2.773979 -1.746099 1.547047
C -1.938604 -1.315626 -0.441283
C -4.058974 -0.558355 0.520052
H -0.255658 -0.595599 1.846200
H 1.102383 3.410496 0.677447
H 2.776291 1.644230 -0.421727
H 2.826219 1.480395 1.357750
H 0.858427 1.739305 2.756740
H -0.766384 2.081895 2.087465
H -1.028632 -0.227532 -2.041353
H 0.471288 -2.647833 0.551866
H 1.693221 -3.266978 -0.574113
H 0.943642 -1.533509 -2.297369
H -0.306403 -2.724059 -1.894815
H -2.038180 2.127854 -1.369758
H -1.945210 2.302534 0.387940
H -1.328850 3.613519 -0.668707
H -0.057442 1.841651 -2.787408
H 0.765790 3.268417 -2.110116
H 1.591820 1.681385 -2.133206
H 3.783075 -2.104190 -1.021048
H 2.923752 -0.746000 -1.810189
H 4.067613 -0.425968 -0.479983
H 3.283806 -2.721350 1.425514
H 3.520718 -1.018661 1.916490
H 1.996909 -1.859380 2.325076
H -1.727869 -1.768163 0.543474
H -2.394333 -2.087555 -1.089147
H -4.721969 0.326544 0.570800


