%chk=000040976.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000040976

0 1
 O    3.969600      -1.589300     -0.1189000    
 O   -5.986300      0.3245000     -0.8113000    
 C    2.128500     -1.2400000E-02  0.3373000    
 C    1.151800      -1.192900      0.6062000    
 C  -0.1046000     -0.7975000       1.426400    
 C  -0.8320000      0.4958000      0.9760000    
 C    3.083500     -0.6415000     -0.7236000    
 C   0.9384000      -1.824900     -0.7775000    
 C    1.336800       1.208400     -0.2120000    
 C    2.150300      -1.443000      -1.637300    
 C   -1.861100      0.3007000     -0.1788000    
 C   0.1885000       1.585500      0.6908000    
 C   -1.095800      -1.948400       1.655400    
 C    2.880200      0.3912000       1.624500    
 C   -2.090300      -2.169100      0.5235000    
 C   -2.763900     -0.8970000      7.6600000E-02
 C   -2.680900       1.597200     -0.3774000    
 C    3.828300       1.535600       1.355200    
 C    3.875300      0.3367000      -1.481900    
 C   0.1053000       2.804000       1.249200    
 C   -3.888800       1.387800      -1.273100    
 C   -4.093200     -0.8832000     -0.1151000    
 C   -4.761800      0.2956000     -0.7130000    
 C    4.521900       1.136200      -2.101400    
 H    1.675900      -1.946100       1.213400    
 H   0.2903000     -0.5744000       2.430300    
 H   -1.420100      0.8108000       1.853500    
 H   3.9400000E-02  -1.467700      -1.278600    
 H   0.8505000      -2.913800     -0.6933000    
 H   0.9018000      0.9632000      -1.189800    
 H    1.972300       2.071600     -0.4266000    
 H    2.630900      -2.341200      -2.043200    
 H    1.804900     -0.8482000      -2.492500    
 H   -1.332300      0.1116000      -1.119600    
 H   -1.666800      -1.727800       2.568200    
 H  -0.5546000      -2.880700       1.857800    
 H    3.436500     -0.4554000       2.043600    
 H    2.179700      0.7000000       2.408300    
 H   -2.830600      -2.906900      0.8589000    
 H   -1.593400      -2.626300     -0.3372000    
 H   -2.050300       2.379700     -0.8150000    
 H   -3.026500       1.971500      0.5959000    
 H    4.683000       1.243100      0.7437000    
 H    3.368900       2.436700      0.9491000    
 H    4.264000       1.844900       2.314300    
 H    3.462900      -2.358900      0.1874000    
 H  -0.7114000       3.065900       1.913300    
 H   0.8513000       3.566800       1.053500    
 H   -3.589700       1.112100      -2.290000    
 H   -4.471300       2.314100      -1.322300    
 H   -4.714300      -1.749100      8.7099999E-02
 H    5.095000       1.846300      -2.650000    


%chk=000040976-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000040976

0 1
O 4.158383 -1.429624 -0.146643
O -6.068636 0.256348 -1.018331
C 2.121960 -0.002638 0.335191
C 1.133742 -1.200352 0.580608
C -0.091234 -0.803866 1.458741
C -0.839265 0.498618 1.014345
C 3.088841 -0.599861 -0.775042
C 0.884796 -1.811051 -0.831596
C 1.303339 1.200858 -0.241207
C 2.169028 -1.514416 -1.660209
C -1.884455 0.309850 -0.152861
C 0.173034 1.597878 0.696056
C -1.101630 -1.950986 1.718889
C 2.863236 0.402974 1.641251
C -2.111227 -2.181260 0.566673
C -2.779529 -0.906892 0.085344
C -2.721457 1.602114 -0.335195
C 4.009012 1.426534 1.494275
C 3.805813 0.399143 -1.581688
C 0.096271 2.837113 1.247395
C -3.915760 1.401135 -1.289745
C -4.128155 -0.877155 -0.169349
C -4.815117 0.259267 -0.817847
C 4.378576 1.216243 -2.301792
H 1.682611 -1.966416 1.177666
H 0.345450 -0.554996 2.448806
H -1.439380 0.823376 1.890770
H 0.013647 -1.346507 -1.320838
H 0.675542 -2.894098 -0.769903
H 0.891145 0.914739 -1.231064
H 1.973137 2.058538 -0.422989
H 2.739907 -2.422743 -1.920205
H 1.922743 -1.009876 -2.609694
H -1.324470 0.130660 -1.097391
H -1.673629 -1.706008 2.636170
H -0.557567 -2.893398 1.927700
H 3.272478 -0.511837 2.113721
H 2.110927 0.810277 2.343857
H -2.879707 -2.912507 0.878292
H -1.581439 -2.638423 -0.292648
H -2.072754 2.418428 -0.697957
H -3.103455 1.917840 0.657421
H 4.822311 1.022934 0.869466
H 3.665028 2.374323 1.042219
H 4.427234 1.667057 2.489047
H 3.717047 -2.138228 0.390656
H -0.710187 3.113643 1.937428
H 0.840093 3.611523 1.024272
H -3.550413 1.144576 -2.306749
H -4.523887 2.317171 -1.388103
H -4.756192 -1.750558 0.050645
H 4.889917 1.932336 -2.917856


