%chk=000093818.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000093818

0 1
 O    7.018100     -0.2641000      0.1118000    
 O   -6.858700     -0.5625000      0.5548000    
 O    6.007100      -2.163800     -0.7057000    
 O   -6.933300      0.2784000      -1.586700    
 N    1.094000       1.790700      0.5784000    
 N  -0.6765000      0.2756000     -0.1291000    
 C    2.301000       1.091400      0.3699000    
 C    4.688400     -0.2924000     -3.9600000E-02
 C    3.519000       1.694100      0.6842000    
 C    2.276700     -0.2030000     -0.1491000    
 C    4.712800       1.002200      0.4794000    
 C    3.470400     -0.8950000     -0.3538000    
 C   -4.843500      2.5400000E-02 -0.4670000    
 C   -2.068000      0.1929000     -0.2419000    
 C   -4.213400     -0.3801000      0.7096000    
 C   -4.085800      0.5146000      -1.531000    
 C   -2.825600     -0.2963000      0.8221000    
 C   -2.698000      0.5983000      -1.418500    
 C    5.933100      -1.014300     -0.2519000    
 C  -0.1996000       1.385500      0.3408000    
 C   -6.290700     -5.9599999E-02 -0.5838000    
 C    8.306000     -0.8675000     -5.2099999E-02
 C   -8.284000     -0.6962000      0.5622000    
 C    9.369600      0.1098000      0.4009000    
 C   -8.719100      -1.264300       1.896300    
 H    3.552200       2.702100       1.089600    
 H    1.369400     -0.7283000     -0.4139000    
 H    5.637100       1.510800      0.7387000    
 H    3.430100      -1.902800     -0.7589000    
 H    1.223600       2.725100      0.9582000    
 H   -4.762500     -0.7669000       1.563400    
 H   -4.556700      0.8359000      -2.456400    
 H   -2.343300     -0.6154000       1.742500    
 H   -2.116000      0.9800000      -2.253300    
 H  -0.8932000       2.199600      0.6252000    
 H    8.359000      -1.780600      0.5510000    
 H    8.457800      -1.119300      -1.107400    
 H   -8.590200      -1.369300     -0.2461000    
 H   -8.742100      0.2873000      0.4098000    
 H    9.218100      0.3851000       1.449800    
 H    9.315200       1.035500     -0.1815000    
 H    10.36890     -0.3199000      0.2890000    
 H   -8.402200     -0.6102000       2.715300    
 H   -8.252700      -2.239600       2.070000    
 H   -9.805700      -1.379800       1.936600    


%chk=000093818-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000093818

0 1
O 7.001848 -0.480314 0.184489
O -6.824174 -0.885470 0.549174
O 5.710585 -2.423254 0.201278
O -7.081104 0.688132 -1.153344
N 1.240358 2.342772 0.036926
N -0.669374 0.912255 0.119944
C 2.331168 1.438816 0.075311
C 4.617230 -0.242013 0.143062
C 3.641197 2.000476 0.083703
C 2.169654 0.025433 0.102221
C 4.771170 1.169831 0.117186
C 3.310711 -0.795163 0.134853
C -4.870061 0.281876 -0.201795
C -2.067950 0.744976 -0.005062
C -4.085621 -0.446866 0.733727
C -4.238742 1.228375 -1.050409
C -2.702064 -0.224253 0.824067
C -2.855827 1.458983 -0.958761
C 5.779990 -1.167481 0.178582
C -0.126449 2.099727 0.032167
C -6.335781 0.079192 -0.341985
C 8.224197 -1.336630 0.219092
C -8.290996 -1.150452 0.476143
C 9.423532 -0.394234 0.212560
C -8.597172 -2.221597 1.518134
H 3.767941 3.090921 0.063871
H 1.161327 -0.391200 0.100398
H 5.777111 1.597517 0.123872
H 3.207291 -1.885154 0.154653
H 1.499251 3.331389 0.021990
H -4.573900 -1.183630 1.377373
H -4.854508 1.764918 -1.780117
H -2.084877 -0.782395 1.534815
H -2.370892 2.161330 -1.646924
H -0.719113 3.033808 -0.023433
H 8.183259 -1.964992 1.127388
H 8.205390 -2.006255 -0.659906
H -8.535958 -1.475864 -0.551335
H -8.826636 -0.203436 0.670756
H 9.406651 0.272354 1.091908
H 9.431246 0.228892 -0.698198
H 10.359818 -0.981093 0.239712
H -8.329765 -1.874702 2.531028
H -8.036297 -3.148262 1.307299
H -9.676864 -2.458165 1.505385


