%chk=000018678.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000018678

0 1
 O  -0.2887000       2.317700     -0.8768000    
 C    2.279500       2.360000      0.3421000    
 C    2.218000      -2.627800      0.1841000    
 C    1.577300       1.093700     -2.3600001E-02
 C    1.534800      -1.280800     -0.1042000    
 C    2.196500     -0.1284000      0.2389000    
 C   0.3169000       1.122800     -0.6207000    
 C  -0.3240000     -7.0100002E-02 -0.9552000    
 C   0.2951000      -1.292100     -0.6924000    
 C    3.666200       2.067800      0.9929000    
 C    1.445200       3.192900       1.363000    
 C    2.572700       3.330700     -0.8485000    
 C    2.416300      -3.402700      -1.136600    
 C    1.336200      -3.464500       1.136200    
 C    3.607300      -2.494700      0.8480000    
 C   -1.673200     -5.9200000E-02  -1.594900    
 C   -2.820600     -8.6400002E-02 -0.6062000    
 C   -3.335100       1.109300     -0.1375000    
 C   -3.327800      -1.306200     -0.1952000    
 C   -4.391700       1.084400      0.7727000    
 C   -4.384500      -1.330900      0.7150000    
 C   -4.916500     -0.1355000       1.198800    
 H    3.168300     -0.1769000      0.6967000    
 H  -0.2088000      -2.216300     -0.9556000    
 H    4.162800       3.008200       1.266400    
 H    3.577200       1.499400       1.926600    
 H    4.350500       1.555000      0.3062000    
 H    1.164200       2.578400       2.226700    
 H    2.026400       4.042600       1.741000    
 H   0.5266000       3.607100      0.9386000    
 H    3.152900       4.201100     -0.5206000    
 H    3.148600       2.816400      -1.626800    
 H    1.660100       3.710400      -1.316700    
 H    2.942100      -4.349100     -0.9635000    
 H    1.466600      -3.651800      -1.622500    
 H    3.008800      -2.819000      -1.851300    
 H   0.3648000      -3.714600      0.6959000    
 H    1.822400      -4.413200       1.392400    
 H    1.144500      -2.925700       2.071900    
 H    4.044500      -3.484800       1.030000    
 H    4.319600      -1.956000      0.2118000    
 H    3.553000      -1.997900       1.824000    
 H   -1.760000     -0.9439000      -2.244300    
 H   -1.805500      0.7571000      -2.313900    
 H  -0.9669000       2.239800      -1.561800    
 H   -2.946700       2.067000     -0.4672000    
 H   -2.921400      -2.242700     -0.5654000    
 H   -4.807600       2.015000       1.147600    
 H   -4.793300      -2.280700       1.046900    
 H   -5.739700     -0.1549000       1.907100    


%chk=000018678-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000018678

0 1
O -0.685400 1.828766 -0.838410
C 1.999153 2.410537 0.154988
C 2.700462 -2.728412 0.393159
C 1.458789 0.971888 -0.045773
C 1.813302 -1.500801 0.072175
C 2.257641 -0.166623 0.238809
C 0.141282 0.724170 -0.525446
C -0.341919 -0.599447 -0.732170
C 0.498432 -1.688412 -0.420615
C 3.462796 2.420824 0.671653
C 1.122475 3.163308 1.202724
C 1.972047 3.177834 -1.202871
C 2.895717 -3.579989 -0.897856
C 2.005660 -3.601859 1.481500
C 4.102114 -2.327137 0.920996
C -1.724825 -0.831772 -1.334740
C -2.893395 -0.207018 -0.561888
C -2.988835 -0.346727 0.848778
C -3.924462 0.489160 -1.246201
C -4.088945 0.188236 1.552574
C -5.027249 1.027716 -0.542643
C -5.113443 0.877061 0.859620
H 3.269243 0.002659 0.610713
H 0.109424 -2.701890 -0.582515
H 3.793931 3.469132 0.788591
H 3.558337 1.928259 1.657389
H 4.155903 1.929191 -0.036302
H 1.149712 2.644882 2.179526
H 1.509991 4.190016 1.347594
H 0.075460 3.228353 0.867507
H 2.352544 4.207389 -1.059265
H 2.616272 2.674277 -1.947933
H 0.948682 3.234594 -1.605427
H 3.516915 -4.470209 -0.681744
H 1.930317 -3.930868 -1.304735
H 3.398464 -2.988240 -1.684729
H 1.011124 -3.950829 1.149894
H 2.619324 -4.494356 1.709084
H 1.868495 -3.027448 2.416130
H 4.690974 -3.238162 1.135076
H 4.664660 -1.732114 0.177882
H 4.035095 -1.742133 1.856920
H -1.890573 -1.924078 -1.403338
H -1.748067 -0.450781 -2.376400
H -1.640021 1.549940 -0.854628
H -2.190454 -0.870078 1.388192
H -3.866690 0.602655 -2.336400
H -4.147996 0.071770 2.640651
H -5.813059 1.562624 -1.087693
H -5.965502 1.294140 1.407694


