%chk=000093628.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000093628

0 1
 O   -6.312400     -0.5241000     -0.3008000    
 N    2.054900     -0.7009000     -6.4999998E-02
 N  -0.4181000      0.9637000     -5.7000001E-03
 N   -1.304500       1.842600      3.7500001E-02
 C    3.394700       1.280300      0.1325000    
 C    4.242300      1.8500000E-02  5.3399999E-02
 C    1.960000      0.6880000      4.3099999E-02
 C    3.395100      -1.100300     -6.1600000E-02
 C    3.629700       2.000100       1.467600    
 C    3.702200       2.206400      -1.052300    
 C    5.622400     -0.1156000      8.0300003E-02
 C    3.934400      -2.374200     -0.1516000    
 C   0.9934000      -1.677900     -0.1809000    
 C   0.8523000       1.445100      7.0000000E-02
 C    6.162000      -1.398600     -1.0200000E-02
 C    5.325000      -2.518500     -0.1252000    
 C   -2.573700       1.244200     -4.7699999E-02
 C   -3.232900      0.8551000       1.113800    
 C   -3.159700       1.044400      -1.293700    
 C   -5.084200      5.6600001E-02 -0.2177000    
 C   -4.491400      0.2596000       1.028600    
 C   -4.418300      0.4490000      -1.378800    
 C   -6.658500      -1.459900      0.7192000    
 C   -7.614900      -2.483500      0.1454000    
 H    3.408700       1.348600       2.321800    
 H    4.672000       2.325000       1.567600    
 H    2.999800       2.892000       1.558600    
 H    4.747000       2.538000      -1.038700    
 H    3.532700       1.703500      -2.012300    
 H    3.074700       3.104500      -1.032600    
 H    6.271800      0.7485000      0.1690000    
 H    3.314600      -3.260200     -0.2330000    
 H   0.6767000      -2.013300      0.8120000    
 H    1.293900      -2.556100     -0.7622000    
 H   0.1217000      -1.281500     -0.7081000    
 H   0.9623000       2.524200      0.1592000    
 H    7.240000      -1.533600      8.8999998E-03
 H    5.764000      -3.510400     -0.1925000    
 H   -2.780700       1.015600       2.088800    
 H   -2.647900       1.347200      -2.203200    
 H   -4.987200     -5.7000001E-03   1.957600    
 H   -4.874900      0.2932000      -2.352400    
 H   -5.780200      -2.002700       1.090500    
 H   -7.138700     -0.9278000       1.547800    
 H   -7.910500      -3.212600      0.9051000    
 H   -8.514500      -1.995000     -0.2436000    
 H   -7.153500      -3.014600     -0.6938000    


%chk=000093628-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000093628

0 1
O -6.661656 -0.322861 -0.017982
N 2.375799 -0.797898 0.226929
N -0.306021 0.629215 -0.123877
N -1.306378 1.477657 -0.333000
C 3.518914 1.270128 -0.173604
C 4.499070 0.123144 0.086592
C 2.149551 0.550770 -0.057477
C 3.766139 -1.068705 0.316595
C 3.654194 2.384504 0.904390
C 3.715227 1.869970 -1.596157
C 5.899615 0.101775 0.122553
C 4.400478 -2.297420 0.586686
C 1.366288 -1.846775 0.416618
C 0.944245 1.222939 -0.224822
C 6.563301 -1.126283 0.392421
C 5.817658 -2.306948 0.620926
C -2.606266 0.906288 -0.227171
C -2.903965 -0.446774 0.103011
C -3.688238 1.800963 -0.475654
C -5.301150 0.013410 -0.070201
C -4.235859 -0.894094 0.182445
C -5.018986 1.364340 -0.400342
C -7.019874 -1.713303 0.326122
C -8.544098 -1.792547 0.310495
H 3.516757 1.972911 1.919170
H 4.657068 2.845961 0.849078
H 2.899295 3.175136 0.745779
H 4.719816 2.323282 -1.680600
H 3.619780 1.090684 -2.371789
H 2.963190 2.653688 -1.797263
H 6.481436 1.013914 -0.054118
H 3.830354 -3.214375 0.764619
H 1.447186 -2.277093 1.433224
H 1.513894 -2.656939 -0.322782
H 0.372539 -1.393649 0.282643
H 0.984802 2.299244 -0.451561
H 7.657439 -1.159624 0.423817
H 6.342209 -3.246492 0.827979
H -2.076258 -1.135645 0.297303
H -3.448087 2.839130 -0.727285
H -4.436911 -1.938619 0.439750
H -5.855660 2.043403 -0.589823
H -6.573226 -2.404559 -0.418033
H -6.613543 -1.961288 1.328325
H -8.874194 -2.816968 0.561951
H -8.977569 -1.093874 1.046162
H -8.936706 -1.532823 -0.687340


