%chk=000110937.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000110937

0 1
 O    2.751900       3.469300      -1.384400    
 O    4.205100       1.486100      0.1074000    
 O   -2.111100       1.828000      0.9856000    
 O   -4.539600      0.9721000      0.1582000    
 O   -4.817300      -1.505100      -1.034100    
 O    4.363100      -3.360400      0.6698000    
 N    2.979200      -1.733200     -0.2566000    
 C    2.079000       1.022300       1.387700    
 C   0.6971000       1.682700       1.129600    
 C    1.442900     -0.2698000      0.9081000    
 C   0.2393000      0.3013000      0.6823000    
 C    1.975700      -1.712800      0.7774000    
 C    3.022200       1.691200      0.3380000    
 C   -1.069700     -0.2244000      0.2145000    
 C   0.9443000       2.668200      3.1199999E-02
 C   0.8670000      -2.737000      0.5297000    
 C  -3.8899999E-02  -2.423600     -0.6699000    
 C    2.215900       2.691200     -0.4051000    
 C   -1.196200      -1.490500     -0.3822000    
 C   -2.189200      0.6006000      0.3936000    
 C   -2.479400      -1.892400     -0.8005000    
 C   -3.448900      0.1736000     -2.0199999E-02
 C   -3.594500      -1.072800     -0.6174000    
 C    4.091700      -2.559400     -0.2209000    
 C    1.789800       3.790200      -2.379800    
 C    4.964200      -2.398100      -1.436800    
 C   -2.285700       1.875200       2.399100    
 C   -5.254900       1.361000      -1.012000    
 C   -5.603100      -2.233100     -9.2399999E-02
 H    2.439100       1.054000       2.419600    
 H   0.2721000       2.127700       2.031600    
 H    2.468500      -1.974900       1.722100    
 H   0.1454000       3.299700     -0.3326000    
 H   0.2527000      -2.841400       1.433800    
 H    1.335000      -3.715400      0.3579000    
 H  -0.4426000      -3.384400      -1.016300    
 H   0.5370000      -2.023800      -1.513300    
 H    2.839000      -1.142000      -1.071700    
 H   -2.615000      -2.859400      -1.282000    
 H    2.324700       4.239000      -3.223000    
 H    1.274000       2.899000      -2.756900    
 H    1.075900       4.536900      -2.016200    
 H    5.929900      -2.881100      -1.263700    
 H    4.477100      -2.863000      -2.298200    
 H    5.135900      -1.337700      -1.643400    
 H   -1.954400       2.854200       2.756100    
 H   -1.707600       1.096500       2.907500    
 H   -3.345800       1.760300       2.646100    
 H   -4.619800       1.366300      -1.904800    
 H   -5.629100       2.377000     -0.8551000    
 H   -6.116200      0.7039000      -1.161000    
 H   -5.811100      -1.621900      0.7915000    
 H   -6.552400      -2.494300     -0.5679000    
 H   -5.092200      -3.155800      0.2003000    


%chk=000110937-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000110937

0 1
O 2.468520 3.342762 -1.905030
O 3.984573 1.099980 -0.851305
O -2.049205 1.722871 1.178057
O -4.628345 0.799559 0.419385
O -4.836757 -1.739789 -0.967036
O 3.943142 -3.897827 0.671886
N 3.288276 -1.823699 -0.149412
C 2.273372 0.962832 0.967427
C 0.843694 1.624844 0.987821
C 1.543027 -0.378811 0.744473
C 0.294884 0.200678 0.653684
C 2.071079 -1.781364 0.700220
C 2.938508 1.537434 -0.292828
C -1.024125 -0.288191 0.265024
C 0.852133 2.651554 -0.114542
C 0.975777 -2.799118 0.271814
C 0.080034 -2.309121 -0.900580
C 2.044356 2.621763 -0.805842
C -1.147064 -1.510200 -0.480666
C -2.203654 0.465141 0.556288
C -2.430237 -1.971146 -0.843352
C -3.483527 0.006839 0.150027
C -3.593911 -1.242980 -0.518769
C 4.175603 -2.882201 -0.059686
C 1.508101 4.323704 -2.430214
C 5.437771 -2.753013 -0.907587
C -2.776877 1.916391 2.454238
C -5.206916 1.422852 -0.796721
C -5.840482 -1.994142 0.093990
H 2.919670 1.063330 1.856373
H 0.505130 2.013966 1.960380
H 2.396223 -2.087866 1.720306
H -0.019377 3.271316 -0.339229
H 0.343833 -3.025323 1.151720
H 1.489168 -3.737423 0.002837
H -0.257839 -3.181846 -1.487442
H 0.709855 -1.698273 -1.581840
H 3.590834 -0.961216 -0.620334
H -2.550980 -2.909704 -1.393534
H 2.013765 4.803491 -3.279841
H 0.582522 3.820712 -2.771031
H 1.258610 5.077671 -1.658578
H 6.316673 -2.963122 -0.274850
H 5.420185 -3.514877 -1.707152
H 5.551257 -1.756114 -1.366400
H -2.526453 2.938734 2.777305
H -2.423970 1.185193 3.206676
H -3.863294 1.812685 2.298961
H -4.473768 2.112458 -1.254179
H -6.089088 1.983340 -0.451025
H -5.504159 0.645324 -1.523461
H -6.043168 -1.076844 0.674084
H -6.745295 -2.327072 -0.436653
H -5.482087 -2.796341 0.766444


