%chk=000122335.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000122335

0 1
 O   -4.513500      0.4362000      0.3271000    
 O   -6.554900      -2.508000      0.2143000    
 O   -7.010000     -0.3271000      0.6084000    
 O    1.633000      0.6553000      -1.770300    
 N    2.771000       1.180300      0.2153000    
 C   -4.715200     -0.9576000      9.1799997E-02
 C   -3.857800      -1.733900       1.087000    
 C   -4.334300      -1.252600      -1.356100    
 C  -0.6426000       1.856200     -0.1511000    
 C   -3.238100      0.9045000      0.1703000    
 C   0.7479000       2.366900     -0.3227000    
 C   -6.198800      -1.203300      0.3330000    
 C   -1.521200       1.847300      -1.234400    
 C   -1.064800       1.388200       1.093400    
 C   -2.822100       1.370400      -1.073200    
 C   -2.365600      0.9112000       1.254300    
 C    3.879900      0.3013000      0.1882000    
 C    1.755800       1.295400     -0.7309000    
 C    5.119800      -1.437300     -0.9039000    
 C    5.886500     -0.5351000       1.202100    
 C    4.793800      0.3315000       1.228400    
 C    4.027300     -0.5706000     -0.8775000    
 C    6.049400      -1.419600      0.1359000    
 C    5.294800      -2.382900      -2.043600    
 C    6.879800     -0.5168000       2.314200    
 H   -4.106200      -2.801600       1.063400    
 H   -2.786200      -1.670100      0.8734000    
 H   -4.026400      -1.390400       2.114000    
 H   -4.834200     -0.5668000      -2.049600    
 H   -4.641600      -2.267300      -1.636000    
 H   -3.256000      -1.202000      -1.536800    
 H   0.7727000       3.139900      -1.102300    
 H    1.061700       2.884000      0.5925000    
 H   -1.205900       2.212700      -2.208200    
 H  -0.3905000       1.393400       1.945600    
 H   -3.502000       1.392600      -1.919700    
 H   -2.687200      0.5727000       2.234700    
 H    2.731000       1.786600       1.031300    
 H    4.666100       1.022500       2.058000    
 H    3.345000     -0.6378000      -1.712000    
 H    6.902000      -2.094500      0.1171000    
 H    5.096100      -1.881500      -2.997000    
 H    6.317200      -2.772400      -2.092200    
 H    4.609400      -3.229900      -1.938100    
 H    7.314200      -1.509800       2.472300    
 H    7.686300      0.1870000       2.085700    
 H    6.411300     -0.2189000       3.258400    
 H   -7.513500      -2.641500      0.3739000    


%chk=000122335-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000122335

0 1
O -4.289405 0.311482 0.083473
O -6.165706 -2.739052 0.741757
O -6.829311 -0.557742 0.304293
O 2.160720 1.802438 -2.239238
N 2.589221 1.344242 0.027946
C -4.389873 -1.146078 0.392081
C -3.750706 -1.469265 1.763539
C -3.776683 -2.006570 -0.737648
C -0.516890 2.237217 -0.359441
C -2.997312 0.881416 -0.049215
C 0.818508 2.958634 -0.536932
C -5.911755 -1.380485 0.459715
C -1.139166 1.605119 -1.467623
C -1.164617 2.192145 0.899945
C -2.370185 0.934936 -1.318219
C -2.397692 1.521303 1.060050
C 3.614058 0.353361 -0.039443
C 1.925510 1.994210 -1.008937
C 5.161253 -1.114524 -1.244013
C 5.115418 -1.132372 1.226145
C 4.103770 -0.150721 1.197062
C 4.142674 -0.127536 -1.260576
C 5.636844 -1.607287 -0.006929
C 5.728748 -1.628474 -2.556732
C 5.640042 -1.674125 2.545277
H -3.911774 -2.530428 2.014194
H -2.665062 -1.273593 1.724309
H -4.195400 -0.845295 2.557860
H -4.239616 -1.763871 -1.709540
H -3.939279 -3.075896 -0.525701
H -2.691119 -1.818887 -0.804733
H 0.735806 3.732429 -1.319786
H 1.106390 3.462507 0.404696
H -0.651995 1.642451 -2.448645
H -0.715561 2.701829 1.761843
H -2.866150 0.476053 -2.179230
H -2.914468 1.512559 2.024937
H 2.277236 1.581130 0.972875
H 3.689874 0.226947 2.142307
H 3.759613 0.268556 -2.203524
H 6.424748 -2.371210 0.002594
H 6.196276 -0.810725 -3.136655
H 6.493338 -2.406821 -2.391300
H 4.934446 -2.060943 -3.193312
H 5.485794 -2.767076 2.618630
H 6.726263 -1.492252 2.648775
H 5.136842 -1.204767 3.408227
H -7.150265 -2.878171 0.783244


