%chk=000040813.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000040813

0 1
 O  -0.7547000     -0.2174000      -1.503200    
 O    6.388000     -0.1182000      0.9740000    
 O    5.874500      -1.679200     -0.4815000    
 N   -1.940200       1.492300     -0.4958000    
 N   0.2958000       1.223200      3.0500000E-02
 N   -5.706300     -8.9199997E-02   1.354000    
 N    5.560100     -0.6905000      0.2246000    
 C   -3.204500       1.221700      -1.140700    
 C   -4.044700      0.2580000     -0.3456000    
 C    1.606500      0.7474000      7.7900000E-02
 C  -0.7866000      0.7372000     -0.7304000    
 C    2.544200       1.368500      0.9026000    
 C    1.978800     -0.3498000     -0.6987000    
 C    4.226900     -0.2050000      0.1743000    
 C   -3.940500      -1.102200     -0.5617000    
 C    3.854500      0.8925000      0.9508000    
 C    3.289000     -0.8261000     -0.6506000    
 C   -4.924700      0.7214000      0.6058000    
 C   -4.728500      -1.968100      0.1885000    
 C   -5.587500      -1.416400       1.125300    
 H   -3.726200       2.178300      -1.258000    
 H   -3.025900      0.8294000      -2.148800    
 H   -1.896600       2.253300      0.1750000    
 H   9.7700000E-02   2.025600      0.6232000    
 H    2.267500       2.224300       1.513100    
 H    1.310700     -0.8828000      -1.360400    
 H   -3.260500      -1.506300      -1.305300    
 H    4.558100       1.401100       1.604900    
 H    3.544500      -1.683200      -1.268600    
 H   -5.039800       1.780500      0.8121000    
 H   -4.672400      -3.041000      4.4100001E-02
 H   -6.223500      -2.048800       1.735900    


%chk=000040813-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000040813

0 1
O -0.668685 -0.000311 -1.671203
O 6.552777 -0.160960 0.943558
O 6.113623 -1.506538 -0.848397
N -1.931968 1.435008 -0.329040
N 0.351325 1.163184 0.121626
N -6.335906 -0.041048 0.746711
N 5.753268 -0.645334 0.047301
C -3.182515 1.186005 -1.071609
C -4.148287 0.268729 -0.331931
C 1.675929 0.680032 0.052120
C -0.745274 0.804849 -0.696145
C 2.601767 1.181259 1.015275
C 2.115139 -0.266177 -0.919188
C 4.352564 -0.188872 0.049294
C -3.803973 -1.075343 -0.034477
C 3.935745 0.752496 1.018444
C 3.452070 -0.696395 -0.914288
C -5.424015 0.727262 0.078701
C -4.732222 -1.886159 0.651324
C -5.979936 -1.329535 1.023693
H -3.670840 2.153451 -1.291922
H -2.878216 0.730509 -2.030622
H -1.995223 1.974713 0.535861
H 0.183798 1.865921 0.845549
H 2.268568 1.909537 1.765158
H 1.404890 -0.640294 -1.657540
H -2.830540 -1.471716 -0.345677
H 4.657302 1.125779 1.749393
H 3.811840 -1.420687 -1.649949
H -5.739967 1.756936 -0.136457
H -4.503251 -2.929071 0.891758
H -6.726088 -1.926730 1.559979


