%chk=000118951.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000118951

0 1
 O    1.141400      -3.066700     -0.3680000    
 O   -3.848400      0.1920000      0.1994000    
 O   -3.173700      -2.013100      0.2597000    
 O   -6.188400       1.644900     -0.3226000    
 O    5.744200       1.527800     -0.7484000    
 N  -0.2151000     -0.9711000      0.9014000    
 N    3.631200       1.853200      0.2452000    
 C  -0.9669000      7.0100002E-02   1.563400    
 C    1.073200     -0.8017000      0.4217000    
 C   -2.368800     -0.4166000       1.912800    
 C    1.740100      -1.852400     -0.2085000    
 C    1.703500      0.4334000      0.5731000    
 C    3.000500      0.6178000      9.4200000E-02
 C    3.037300      -1.667900     -0.6872000    
 C    3.667400     -0.4329000     -0.5359000    
 C   -3.155700     -0.8731000      0.7025000    
 C   -4.657300     -8.5800000E-02 -0.9483000    
 C   -5.355700       1.188700      -1.381800    
 C    4.918000       2.223800     -0.1672000    
 C    1.899300      -4.080800      -1.023600    
 C    5.226800       3.657500      0.1846000    
 C   -6.853000       2.852700     -0.6663000    
 H   -1.058900      0.9440000      0.9069000    
 H  -0.4631000      0.3775000       2.487000    
 H   -2.929600      0.3685000       2.433400    
 H   -2.320300      -1.265100       2.606500    
 H  -0.6295000      -1.892100      0.8068000    
 H    1.212700       1.271000       1.061100    
 H    3.616600      -2.436900      -1.186700    
 H    4.671200     -0.3651000     -0.9314000    
 H    3.079800       2.568300      0.7150000    
 H   -5.401600     -0.8430000     -0.6760000    
 H   -4.025700     -0.4613000      -1.760900    
 H   -4.610300       1.960900      -1.604900    
 H   -5.960800      0.9985000      -2.274900    
 H    1.271000      -4.976800      -1.063000    
 H    2.795800      -4.348000     -0.4538000    
 H    2.127700      -3.809000      -2.059900    
 H    5.142700       3.800900       1.265600    
 H    4.526300       4.322700     -0.3282000    
 H    6.245200       3.904700     -0.1274000    
 H   -6.127300       3.647900     -0.8626000    
 H   -7.494200       2.702800      -1.540300    
 H   -7.479200       3.153300      0.1780000    


%chk=000118951-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000118951

0 1
O 0.857743 -2.627880 -0.391598
O -4.135740 0.985034 -0.472421
O -2.716459 -0.842149 -0.751417
O -7.019686 0.325745 -0.064238
O 6.665185 0.686915 0.173171
N -0.035678 -0.221550 0.290910
N 4.518998 1.590186 0.497263
C -0.679145 1.062993 0.539640
C 1.343268 -0.363856 0.167132
C -2.171847 0.896873 0.914364
C 1.861651 -1.657254 -0.184959
C 2.270068 0.686161 0.374873
C 3.671658 0.461664 0.260757
C 3.243494 -1.868796 -0.300984
C 4.167386 -0.817076 -0.076234
C -2.997687 0.240244 -0.179072
C -5.074113 0.409175 -1.480271
C -6.447428 1.004877 -1.224919
C 5.908499 1.666921 0.448799
C 1.289720 -3.966131 -0.785333
C 6.479909 3.052149 0.759616
C -8.309757 0.888298 0.329202
H -0.587920 1.750903 -0.333860
H -0.183240 1.568024 1.393532
H -2.608905 1.877409 1.161082
H -2.239821 0.252534 1.812040
H -0.619356 -0.989061 -0.058448
H 1.905156 1.690771 0.619719
H 3.630493 -2.857161 -0.567496
H 5.242006 -0.977474 -0.162967
H 4.030249 2.456155 0.732704
H -5.088097 -0.689398 -1.380414
H -4.698235 0.679309 -2.483823
H -6.364755 2.099301 -1.045315
H -7.086278 0.844877 -2.123726
H 0.363672 -4.547893 -0.904287
H 1.924782 -4.427805 -0.003898
H 1.843732 -3.942470 -1.744346
H 5.714911 3.817699 0.980360
H 7.082974 3.391060 -0.100490
H 7.161206 2.971943 1.624378
H -8.218668 1.959860 0.607831
H -9.063825 0.792154 -0.481719
H -8.641723 0.310219 1.205362


