%chk=000172270.chk
%nprocshared=4
%mem=7500MB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000172270

1 1
 O   -1.888400     -0.8679000     -0.1607000    
 O    1.892200       3.949700      0.8003000    
 O    2.431500       3.153100      -1.257700    
 O   -5.366900     -5.3599998E-02   1.251500    
 O   -3.975200       1.420300      0.2230000    
 N    1.828500     -0.8646000      9.3500003E-02
 N    2.800100      -2.956500     -0.4148000    
 C    2.824900      -1.185000       1.192900    
 C   0.3948000     -0.9624000      0.5739000    
 C    2.090200      0.4857000     -0.5329000    
 C    2.114800      -1.958500     -0.8694000    
 C    3.049100      -2.671500       1.008800    
 C  -0.5409000     -0.8131000     -0.6095000    
 C    1.778900       1.588100      0.4624000    
 C    2.079900       2.955100     -0.1017000    
 C   -2.803400     -0.7317000      -1.239500    
 C   -4.223200     -0.7971000     -0.7054000    
 C   -4.486900      0.3099000      0.2853000    
 H    2.417200     -0.9122000       2.170900    
 H    3.750300     -0.6307000      0.9988000    
 H   0.2587000      -1.953800       1.026100    
 H   0.2057000     -0.2421000       1.375000    
 H    1.524500      0.5798000      -1.465200    
 H    3.150100      0.5127000     -0.8195000    
 H    1.788100      -1.906400      -1.919400    
 H    2.358900      -3.260500       1.623200    
 H    4.071000      -2.950400       1.283800    
 H  -0.4165000      0.1492000      -1.111500    
 H  -0.3939000      -1.615000      -1.340300    
 H   0.7158000       1.619200      0.7172000    
 H    2.368200       1.473700       1.378000    
 H   -2.632200      0.2228000      -1.751400    
 H   -2.648900      -1.545600      -1.957300    
 H   -4.365100      -1.754200     -0.1899000    
 H   -4.952800     -0.7192000      -1.516900    
 H    2.078900       4.832800      0.4160000    
 H   -5.535100      0.6751000       1.886400    


%chk=000172270-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000172270

1 1
O -1.821227 -1.785939 -0.954350
O 1.057985 3.924817 0.909702
O 1.871838 3.210373 -1.153460
O -4.131000 1.190020 1.329551
O -2.009966 0.931162 0.441045
N 1.720966 -0.914626 0.062687
N 3.237901 -2.731382 -0.320722
C 2.400065 -1.241421 1.415658
C 0.235355 -1.355602 0.092714
C 1.910156 0.551144 -0.364522
C 2.512197 -1.850116 -0.898364
C 3.126500 -2.597677 1.161160
C -0.521477 -1.184733 -1.237077
C 1.196528 1.560234 0.550077
C 1.426865 2.958718 -0.012512
C -3.008923 -1.059914 -1.461782
C -3.862675 -0.544945 -0.295736
C -3.216433 0.575995 0.493642
H 1.641075 -1.279329 2.209138
H 3.121367 -0.437396 1.629303
H 0.227848 -2.420873 0.381686
H -0.278358 -0.764432 0.866220
H 1.544362 0.650111 -1.399557
H 2.998858 0.732086 -0.383993
H 2.389878 -1.698696 -1.972362
H 2.574148 -3.472252 1.547440
H 4.134781 -2.621098 1.603317
H -0.629757 -0.115620 -1.496196
H -0.034146 -1.727997 -2.072844
H 0.102174 1.398848 0.585526
H 1.568113 1.534757 1.589757
H -2.702633 -0.232777 -2.130137
H -3.592768 -1.790338 -2.047664
H -4.075095 -1.376483 0.403759
H -4.847406 -0.199095 -0.661113
H 1.184141 4.839348 0.534740
H -3.708335 1.920326 1.859269


