%chk=000039266.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000039266

0 1
 O   -1.207300     -0.3200000       1.918100    
 O   0.1908000      -2.229000      0.1693000    
 N    1.008700     -0.1423000     -0.5702000    
 N    4.638600     -0.9456000     -0.7719000    
 C   -1.099600     -0.1620000      0.5171000    
 C  -0.6809000       1.229100      0.1212000    
 C   0.5597000       1.184100     -0.5177000    
 C   9.0999998E-02  -1.018000      3.0400001E-02
 C   -2.367600     -0.6098000     -0.1244000    
 C    2.256900     -0.5557000      -1.166600    
 C   -1.333500       2.435300      0.3155000    
 C    1.179600       2.328600     -0.9886000    
 C    3.395100     -0.4979000     -0.1582000    
 C   -2.459900     -0.6826000      -1.515100    
 C   -3.465500     -0.9568000      0.6644000    
 C  -0.7221000       3.600600     -0.1538000    
 C  -2.1600001E-02  9.2799999E-02   2.589700    
 C   0.5235000       3.547200     -0.8016000    
 C   -3.647200      -1.101300      -2.115700    
 C   -4.652700      -1.375600      6.3900001E-02
 C  -0.2108000     -8.8500001E-02   4.080600    
 C    5.735300     -0.9049000      0.1856000    
 C   -4.743600      -1.447800      -1.326200    
 C    7.033000      -1.379800     -0.4457000    
 H    2.135200      -1.588700      -1.516200    
 H    2.463900      5.7599999E-02  -2.051000    
 H   -2.294200       2.481100      0.8167000    
 H    2.143900       2.303100      -1.482800    
 H    3.504500      0.5270000      0.2174000    
 H    3.148900      -1.134300      0.7011000    
 H   -1.621500     -0.4179000      -2.153900    
 H   -3.443400     -0.9099000       1.749200    
 H   -1.213800       4.559900     -1.6000001E-02
 H   0.8435000     -0.5090000       2.293700    
 H   0.1981000       1.151800       2.424700    
 H   0.9818000       4.466100      -1.157400    
 H    4.859300     -0.3577000      -1.575200    
 H   -3.718300      -1.157300      -3.198000    
 H   -5.507300      -1.644200      0.6780000    
 H   0.6833000      0.2191000       4.630400    
 H   -1.063300      0.5004000       4.435500    
 H  -0.4274000      -1.135700       4.316900    
 H    5.878200      0.1155000      0.5603000    
 H    5.510700      -1.548700       1.044100    
 H   -5.668300      -1.773400      -1.793700    
 H    6.942400      -2.409300     -0.8085000    
 H    7.319300     -0.7431000      -1.289400    
 H    7.844000      -1.351000      0.2890000    


%chk=000039266-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000039266

0 1
O -1.361594 -0.075114 2.000924
O 0.234735 -2.167898 0.381763
N 1.022596 -0.144010 -0.553615
N 4.719822 -0.925154 -0.755971
C -1.121812 -0.016334 0.546924
C -0.652260 1.348448 0.060464
C 0.606782 1.216578 -0.581836
C 0.096791 -0.944461 0.137409
C -2.398588 -0.547198 -0.112104
C 2.285460 -0.665395 -1.091324
C -1.257970 2.606365 0.176127
C 1.274089 2.324697 -1.136069
C 3.474168 -0.459000 -0.121100
C -2.902794 -0.003549 -1.318687
C -3.052879 -1.658595 0.477013
C -0.598816 3.739937 -0.369801
C -0.179881 0.207699 2.845376
C 0.648772 3.592755 -1.021283
C -4.055785 -0.555787 -1.921917
C -4.206658 -2.204062 -0.124188
C -0.657745 0.145506 4.295356
C 5.884599 -1.047109 0.150389
C -4.712897 -1.655733 -1.326256
C 7.127521 -1.525525 -0.619009
H 2.156840 -1.745584 -1.271167
H 2.489707 -0.176295 -2.063815
H -2.224767 2.704880 0.681131
H 2.243029 2.225416 -1.635611
H 3.509443 0.609345 0.210269
H 3.297163 -1.070731 0.783194
H -2.403055 0.851117 -1.787340
H -2.652788 -2.077572 1.403680
H -1.057059 4.731017 -0.288508
H 0.603318 -0.555095 2.653564
H 0.227927 1.210588 2.600584
H 1.146296 4.473641 -1.442540
H 4.955611 -0.373205 -1.593602
H -4.439685 -0.125570 -2.853915
H -4.708378 -3.059626 0.341771
H 0.184628 0.340307 4.984222
H -1.443235 0.898765 4.478952
H -1.072856 -0.851289 4.523006
H 6.119894 -0.088971 0.679441
H 5.626322 -1.785963 0.933868
H -5.607602 -2.082322 -1.793990
H 6.924453 -2.491887 -1.112396
H 7.421813 -0.796082 -1.398403
H 7.986727 -1.650449 0.064021


