%chk=000044184.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000044184

0 1
 O    3.980900      -2.432400     -0.4769000    
 O   -4.489500      -1.617100     -0.7045000    
 O    1.890700      -3.128000      6.9200002E-02
 O    5.428000       2.969200     -0.3056000    
 O    6.253200      0.9890000     -0.7715000    
 N   0.1566000     -0.6892000      0.8607000    
 N   -2.484200      9.5700003E-02  0.3194000    
 N    2.654000      -2.143400     -4.8300002E-02
 N    4.675700      -1.236200     -0.5500000    
 N    5.297100       1.721100     -0.4048000    
 C  -0.6037000      -1.443900     -0.1392000    
 C  -0.6708000     -0.1927000       1.960700    
 C   -1.675600     -0.5295000     -0.7428000    
 C   -1.742500      0.7497000       1.409300    
 C    1.396200     -0.1403000      0.5519000    
 C   -3.757700      0.5656000     -2.4000000E-02
 C    2.547400     -0.8294000      0.1309000    
 C    1.663500       1.255000      0.6285000    
 C    3.834400     -0.2567000     -0.1890000    
 C   -4.760900     -0.2921000     -0.5362000    
 C   -4.092500       1.931700      0.1309000    
 C    2.919500       1.858300      0.3212000    
 C    4.052200       1.130300     -9.8200001E-02
 C   -6.025800      0.1894000     -0.8737000    
 C   -5.357400       2.413200     -0.2066000    
 C   -6.324100       1.542000     -0.7089000    
 C   -4.764800      -2.479400      0.3974000    
 H   -1.076100      -2.309600      0.3409000    
 H   2.6000001E-02  -1.820700     -0.9511000    
 H  -6.8599999E-02  0.3104000       2.726300    
 H   -1.151800      -1.046900       2.454200    
 H   -1.196400      0.2669000      -1.327300    
 H   -2.273100      -1.117200      -1.445700    
 H   -2.419200       1.008900       2.233100    
 H   -1.295100       1.677900       1.039800    
 H   0.8733000       1.935300      0.9413000    
 H   -3.363200       2.645500      0.5066000    
 H    2.980600       2.941900      0.4244000    
 H   -6.783600     -0.4831000      -1.266500    
 H   -5.589100       3.466900     -8.1500001E-02
 H   -7.308600       1.917100     -0.9727000    
 H   -5.832900      -2.466800      0.6361000    
 H   -4.180000      -2.185900       1.274900    
 H   -4.481700      -3.496900      0.1145000    


%chk=000044184-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000044184

0 1
O 3.860298 -2.571243 -0.794360
O -4.457480 -1.677364 -0.890464
O 1.631885 -3.192333 0.088206
O 5.598466 2.812697 -0.149999
O 6.208424 0.834961 -1.136926
N 0.183366 -0.516936 0.934593
N -2.586375 0.124721 0.397185
N 2.437481 -2.242469 -0.144701
N 4.588656 -1.378642 -0.853718
N 5.372814 1.574290 -0.479311
C -0.612673 -1.362205 0.003346
C -0.675086 0.130484 1.950756
C -1.734848 -0.515975 -0.640220
C -1.804843 0.973994 1.315423
C 1.452854 -0.042106 0.641079
C -3.885091 0.574325 0.004414
C 2.467484 -0.887724 0.032116
C 1.877493 1.277961 0.946472
C 3.782322 -0.393257 -0.356109
C -4.806757 -0.322216 -0.629673
C -4.327923 1.905464 0.243663
C 3.155872 1.766914 0.586111
C 4.102308 0.983911 -0.088055
C -6.076260 0.117445 -1.048787
C -5.615086 2.333298 -0.148961
C -6.491519 1.447771 -0.812960
C -4.471648 -2.540859 0.311544
H -1.046320 -2.207555 0.567190
H 0.024415 -1.774149 -0.790960
H -0.062489 0.739814 2.633251
H -1.141272 -0.680225 2.543423
H -1.274903 0.259373 -1.296439
H -2.367044 -1.170863 -1.260739
H -2.462470 1.342163 2.122461
H -1.365950 1.859651 0.796013
H 1.170856 1.974939 1.403204
H -3.653928 2.627556 0.715023
H 3.423961 2.807587 0.792113
H -6.730146 -0.606874 -1.545599
H -5.921295 3.366582 0.047816
H -7.483023 1.780945 -1.135722
H -5.493142 -2.589066 0.733844
H -3.768124 -2.162224 1.077083
H -4.162860 -3.538961 -0.035426


