%chk=000113768.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000113768

0 1
 O   -1.542800      -1.739600     -0.1575000    
 N    2.029200      0.4248000      0.5541000    
 C    2.449800     -0.1429000     -0.7435000    
 C    1.633000      0.4650000      -1.896800    
 C  -0.2717000      0.8292000     -0.3056000    
 C   0.5945000      0.1990000      0.8014000    
 C    3.945600      0.1178000     -0.9942000    
 C   0.1340000      0.2830000      -1.681200    
 C    2.820600     -0.1270000       1.664900    
 C    4.806200     -0.4112000      0.1467000    
 C    4.313300      0.1391000       1.477900    
 C   -1.755300      0.6453000     -4.1299999E-02
 C   -2.314100     -0.6303000      1.9200001E-02
 C   -2.558000       1.770300      0.1413000    
 C   -3.679200     -0.7813000      0.2630000    
 C   -3.923100       1.619100      0.3849000    
 C   -4.483700      0.3435000      0.4457000    
 C   -2.198500      -3.003600     -7.9000004E-02
 H    2.284000      -1.230100     -0.7370000    
 H    1.920400     -2.0999999E-03  -2.846600    
 H    1.854700       1.536300      -1.991900    
 H  -5.7300001E-02   1.908300     -0.3096000    
 H   0.3166000      0.6601000       1.758800    
 H   0.4092000     -0.8755000      0.9071000    
 H    4.125800       1.194800      -1.110000    
 H    4.256800     -0.3582000      -1.931900    
 H  -0.4162000      0.8063000      -2.473000    
 H  -9.9500000E-02 -0.7803000      -1.794300    
 H    2.651300      -1.207400       1.764300    
 H    2.509400      0.3386000       2.608100    
 H    5.853500     -0.1314000     -1.1400000E-02
 H    4.763300      -1.507000      0.1622000    
 H    4.876800     -0.3189000       2.298700    
 H    4.503700       1.218900       1.522300    
 H   -2.138100       2.771500      9.7099997E-02
 H   -4.184300      -1.739000      0.3240000    
 H   -4.549600       2.494800      0.5273000    
 H   -5.546900      0.2272000      0.6355000    
 H   -2.943600      -3.122200     -0.8730000    
 H   -2.617300      -3.180300      0.9175000    
 H   -1.435600      -3.771900     -0.2430000    


%chk=000113768-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000113768

0 1
O -1.647457 -1.800717 -0.190932
N 2.054992 0.398075 0.534913
C 2.517724 -0.152445 -0.774141
C 1.664862 0.432982 -1.922136
C -0.274554 0.751280 -0.326476
C 0.613301 0.117225 0.775723
C 4.015140 0.163536 -0.992869
C 0.154573 0.197814 -1.713144
C 2.869601 -0.102856 1.672809
C 4.893448 -0.332785 0.175416
C 4.360457 0.243556 1.505418
C -1.766236 0.605758 -0.038270
C -2.441419 -0.653384 0.024737
C -2.548370 1.765458 0.179616
C -3.830197 -0.728087 0.289722
C -3.936288 1.708283 0.447650
C -4.575994 0.453647 0.501560
C -2.302891 -3.107970 -0.138951
H 2.391917 -1.271996 -0.775854
H 1.995480 -0.018151 -2.878403
H 1.868714 1.521516 -1.980276
H -0.042652 1.835936 -0.321611
H 0.342494 0.547188 1.758784
H 0.412778 -0.980968 0.817711
H 4.126628 1.261762 -1.094836
H 4.339426 -0.293155 -1.948564
H -0.428426 0.693065 -2.513194
H -0.075572 -0.882384 -1.758322
H 2.767221 -1.217102 1.780355
H 2.473241 0.350743 2.601395
H 5.949930 -0.043258 0.017046
H 4.863965 -1.441609 0.218235
H 4.931206 -0.156466 2.365779
H 4.475997 1.344766 1.506176
H -2.047096 2.740218 0.135481
H -4.339045 -1.695601 0.334755
H -4.504259 2.630169 0.610722
H -5.650117 0.384853 0.707198
H -3.087204 -3.199385 -0.915662
H -2.745994 -3.299687 0.857890
H -1.502423 -3.837124 -0.334249


