%chk=000040758.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000040758

0 1
 O    1.297900      -3.396200      0.2121000    
 O    2.021400       2.998100     -0.1319000    
 O   -3.721800      0.3105000     -0.4574000    
 N  -4.9600001E-02 -3.4200002E-02 -0.4772000    
 C   0.8722000      -1.024000      7.7600002E-02
 C   0.3018000       1.308100     -1.4800000E-02
 C   -1.428200     -0.3565000     -0.1095000    
 C   0.4333000      -2.422000     -0.3594000    
 C    1.693400       1.673400     -0.5327000    
 C   -2.375300      0.6481000     -0.7667000    
 C    2.303000     -0.7138000     -0.3633000    
 C   0.2291000       1.373300       1.511000    
 C   -1.577100     -0.3648000       1.412200    
 H   0.9330000      -1.083700       1.165500    
 H  -0.3475000       2.086400     -0.4254000    
 H   -1.749700      -1.320000     -0.5152000    
 H  -0.5470000      -2.713000      1.9300001E-02
 H   0.4341000      -2.539100      -1.449300    
 H    2.553000       1.271800     -4.0500000E-02
 H    1.768200       1.642500      -1.624400    
 H   -2.260500       1.670900     -0.4033000    
 H   -2.264900      0.6554000      -1.856800    
 H    2.928800     -0.3328000      0.4520000    
 H    2.429700     -0.3089000      -1.371500    
 H    2.821400      -1.673900     -0.5122000    
 H   0.9103000       2.179100       1.828600    
 H   0.6220000      0.5574000       2.114600    
 H  -0.7072000       1.792500       1.882000    
 H   -2.396800      -1.084200       1.589800    
 H   -2.032700      0.5281000       1.845800    
 H  -0.8084000     -0.8215000       2.033900    
 H    1.986400      -3.603000     -0.4422000    
 H    1.366300       3.596800     -0.5294000    
 H   -3.892200     -0.5773000     -0.8154000    


%chk=000040758-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000040758

0 1
O 1.244911 -3.687116 0.272861
O 1.299297 3.544326 -0.288031
O -3.532070 0.280324 -1.310587
N 0.054215 -0.063350 -0.086980
C 0.956212 -1.196982 0.293377
C 0.428649 1.296592 0.431010
C -1.418847 -0.318329 -0.097667
C 0.354290 -2.579046 -0.092857
C 1.166298 2.124834 -0.662455
C -2.125201 0.650717 -1.087147
C 2.337634 -1.048476 -0.389597
C 1.183215 1.341325 1.781804
C -2.107251 -0.311301 1.291849
H 1.120190 -1.235595 1.395267
H -0.526968 1.832971 0.609319
H -1.566504 -1.321610 -0.540670
H -0.561815 -2.792846 0.480672
H 0.119613 -2.597530 -1.180197
H 2.205928 1.786998 -0.797644
H 0.628914 2.006757 -1.625639
H -2.190049 1.676041 -0.684110
H -1.550132 0.669996 -2.036254
H 2.810523 -0.083247 -0.152228
H 2.231206 -1.112321 -1.488958
H 3.037232 -1.830136 -0.036482
H 1.390209 2.397375 2.030976
H 2.153589 0.815957 1.748672
H 0.580331 0.898246 2.594680
H -3.194786 -0.468825 1.175666
H -1.963690 0.655808 1.809366
H -1.701691 -1.107794 1.942240
H 2.048175 -3.666284 -0.305244
H 0.398694 3.957169 -0.268137
H -3.563918 -0.591148 -1.780972


