%chk=000045448.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000045448

0 1
 O    2.208200      -2.527600       2.249900    
 N    3.275100      0.1462000     -0.1174000    
 C    3.103900       1.295500      0.7824000    
 C    4.471000      0.3027000     -0.9573000    
 C    2.977300       2.599700     -6.3999998E-03
 C    4.388900       1.574300      -1.803200    
 C    4.170800       2.806200     -0.9322000    
 C    3.347500      -1.097300      0.6493000    
 C    2.077500      -1.315700       1.495200    
 C   0.8473000      -1.396700      0.6551000    
 C  -0.2070000     -0.5055000      0.8724000    
 C   -1.396100     -0.5410000      0.1021000    
 C   0.7497000      -2.355800     -0.3410000    
 C   -1.469300      -1.532500     -0.9112000    
 C   -2.507300      0.3555000      0.2896000    
 C  -0.4017000      -2.422500      -1.119400    
 C   -3.649000      0.2264000     -0.5436000    
 C   -2.610500      -1.628400      -1.711400    
 C   -3.683700     -0.7622000      -1.530500    
 C   -2.545800       1.381800       1.266600    
 C   -4.749800       1.085900     -0.3867000    
 C   -3.647200       2.229700       1.412300    
 C   -4.749800       2.081500      0.5854000    
 H    3.943700       1.370600       1.485900    
 H    2.187200       1.234300       1.372400    
 H    4.561700     -0.5531000      -1.637400    
 H    5.380200      0.3284000     -0.3422000    
 H    2.897600       3.445800      0.6857000    
 H    2.053500       2.582900     -0.5991000    
 H    3.564500       1.484500      -2.522200    
 H    5.309600       1.691700      -2.385700    
 H    4.010800       3.688500      -1.561300    
 H    5.070200       2.995100     -0.3333000    
 H    3.501700      -1.951700     -2.2200000E-02
 H    4.219300      -1.099000       1.318900    
 H    1.982500     -0.5446000       2.264800    
 H  -9.3000002E-02  0.2290000       1.665700    
 H    1.548100      -3.069100     -0.5231000    
 H    1.339100      -2.744500       2.629100    
 H  -0.4601000      -3.184200      -1.894900    
 H   -2.679800      -2.383800      -2.492000    
 H   -4.553100     -0.8721000      -2.176300    
 H   -1.711100       1.546400       1.943000    
 H   -5.625100      0.9860000      -1.026300    
 H   -3.637600       3.004200       2.173800    
 H   -5.607800       2.737700      0.6945000    


%chk=000045448-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000045448

0 1
O 2.612494 -2.801184 2.061299
N 3.193614 0.356236 0.191288
C 3.820653 1.270635 1.176692
C 3.613353 0.663661 -1.198724
C 3.462596 2.740785 0.875495
C 3.251312 2.115691 -1.571945
C 3.873627 3.112632 -0.567559
C 3.321610 -1.068303 0.562226
C 2.155345 -1.522331 1.478952
C 0.838690 -1.677764 0.730484
C -0.095810 -0.631030 0.707275
C -1.323704 -0.728974 -0.014823
C 0.560984 -2.882168 0.012992
C -1.596370 -1.953760 -0.727271
C -2.311750 0.354081 -0.055819
C -0.635828 -3.012050 -0.697167
C -3.535660 0.162931 -0.797726
C -2.834340 -2.101607 -1.459289
C -3.768205 -1.084429 -1.492055
C -2.120322 1.604635 0.609483
C -4.508524 1.209499 -0.842682
C -3.086960 2.618428 0.552671
C -4.293967 2.422522 -0.178302
H 4.938071 1.158564 1.171809
H 3.474623 0.994042 2.190444
H 3.100261 -0.040655 -1.878910
H 4.718427 0.518107 -1.334098
H 3.964943 3.401024 1.608767
H 2.369295 2.873788 0.994044
H 2.149041 2.218940 -1.562123
H 3.600586 2.328417 -2.600752
H 3.563263 4.147649 -0.805513
H 4.979950 3.078535 -0.652960
H 3.313808 -1.692659 -0.349323
H 4.271990 -1.286396 1.103221
H 2.028306 -0.766423 2.283779
H 0.147221 0.284629 1.255358
H 1.296668 -3.693768 0.031955
H 1.863255 -3.201323 2.571664
H -0.855492 -3.936421 -1.245148
H -3.016652 -3.043730 -1.989957
H -4.705275 -1.204189 -2.048703
H -1.202453 1.785932 1.176906
H -5.431797 1.045458 -1.411386
H -2.913125 3.567245 1.072241
H -5.045653 3.218296 -0.219011


