%chk=000045421.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000045421

0 1
 O    1.320800      0.6484000       1.250900    
 O   0.3598000       1.177900     -0.7820000    
 N    4.636000      0.5069000     -0.3585000    
 N   -4.257600       3.743200     -0.2833000    
 C  -0.9442000      0.1576000      0.9609000    
 C   -2.205200      0.7575000      0.3635000    
 C   -1.123900      -1.316700      0.6447000    
 C   -3.005000     -0.2540000     -0.2154000    
 C   -2.340700      -1.528200     -4.2700000E-02
 C   0.2981000      0.7235000      0.3525000    
 C   -2.603400       2.084200      0.3544000    
 C  -0.2812000      -2.370500      0.9583000    
 C   -4.212000      6.0699999E-02 -0.8179000    
 C   -2.718700      -2.803400     -0.4300000    
 C    3.353800      2.8899999E-02  0.1369000    
 C   -3.819700       2.400700     -0.2533000    
 C    2.578000       1.158500      0.7956000    
 C   -4.615700       1.399100     -0.8344000    
 C  -0.6625000      -3.655200      0.5675000    
 C   -1.868800      -3.869500     -0.1204000    
 C    5.366200     -0.5708000      -1.030500    
 C    5.441100       1.057900      0.7342000    
 C    4.550900      -1.159400      -2.169400    
 C    6.753800       1.622600      0.2182000    
 H  -0.9661000      0.3201000       2.045000    
 H   -1.983600       2.850800      0.8086000    
 H   0.6492000      -2.210600       1.492000    
 H   -4.838800     -0.7017000      -1.268300    
 H   -3.648100      -2.985300     -0.9592000    
 H    3.469600     -0.8034000      0.8443000    
 H    2.721600     -0.3463000     -0.6744000    
 H    2.445000       2.020300      0.1300000    
 H    3.060000       1.521300       1.706700    
 H   -5.562100       1.656900      -1.304700    
 H  -2.0400001E-02  -4.501100      0.7983000    
 H   -2.144700      -4.879000     -0.4139000    
 H    6.282400     -0.1868000      -1.490500    
 H    5.652900      -1.368000     -0.3331000    
 H    4.943200       1.911700       1.201600    
 H    5.635500      0.3150000       1.517900    
 H    3.747600      -1.813200      -1.816000    
 H    4.124000     -0.3806000      -2.810800    
 H    5.198800      -1.779500      -2.799800    
 H    7.472700      0.8399000     -4.2599998E-02
 H    6.603400       2.272600     -0.6506000    
 H    7.225300       2.228800       1.000300    
 H   -5.136300       3.978900     -0.7249000    
 H   -3.688800       4.470100      0.1301000    


%chk=000045421-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000045421

0 1
O 1.313118 0.788680 1.351999
O 0.539342 1.196670 -0.812535
N 4.738394 0.239164 -0.204927
N -4.296154 3.326549 -1.597456
C -1.019327 0.415234 0.972686
C -2.246597 0.752824 0.129829
C -1.125834 -1.114156 1.128446
C -3.002806 -0.429815 -0.125593
C -2.311923 -1.578331 0.481239
C 0.318894 0.844973 0.366682
C -2.656326 2.001369 -0.347708
C -0.266518 -1.999524 1.796462
C -4.201447 -0.340715 -0.867075
C -2.636720 -2.953480 0.510630
C 3.364819 -0.115427 0.229035
C -3.864737 2.093665 -1.103620
C 2.705863 1.107767 0.897559
C -4.629169 0.911616 -1.349518
C -0.596443 -3.379762 1.822468
C -1.771268 -3.848078 1.184038
C 4.896905 0.306791 -1.680984
C 5.812260 -0.517206 0.490536
C 4.064825 1.431207 -2.327692
C 7.167836 0.216454 0.499698
H -1.079455 0.888347 1.973169
H -2.055696 2.900670 -0.166824
H 0.639525 -1.629284 2.287877
H -4.801339 -1.234095 -1.074363
H -3.543193 -3.326401 0.020493
H 3.379537 -0.959197 0.947225
H 2.742909 -0.435808 -0.630239
H 2.670291 1.955371 0.193749
H 3.233929 1.395629 1.819459
H -5.557759 0.987210 -1.928771
H 0.060620 -4.087572 2.340021
H -2.012034 -4.917103 1.212438
H 5.965124 0.487358 -1.897887
H 4.631542 -0.671610 -2.158379
H 5.488587 -0.660347 1.538583
H 5.945594 -1.540768 0.054902
H 2.981060 1.299166 -2.156681
H 4.363114 2.412569 -1.917001
H 4.231901 1.444077 -3.420897
H 7.588688 0.329126 -0.515390
H 7.049819 1.224269 0.935110
H 7.903214 -0.348191 1.102678
H -5.140955 3.395793 -2.156728
H -3.739810 4.165121 -1.460944


