%chk=000063419.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000063419

0 1
 O   -2.199900      -2.348400      0.1916000    
 O    2.909700      0.6671000      -1.498800    
 N    1.088200      0.1215000     -0.1199000    
 N   -1.363400     -0.1620000      0.1378000    
 N    3.548400       2.758400     -0.1031000    
 C  -0.1780000      0.6513000      0.3989000    
 C    1.244700      -1.298000     -2.4400000E-02
 C   0.1176000      -2.115300      0.1548000    
 C   -1.259700      -1.557600      0.1563000    
 C    2.100100      0.9618000     -0.6162000    
 C   -2.643500      0.4998000      4.8900001E-02
 C    2.164100       2.350800     -2.1100000E-02
 C    2.508700      -1.914000     -5.6000002E-02
 C   0.2622000      -3.509000      0.2786000    
 C    2.645700      -3.299000      6.8200000E-02
 C    1.522700      -4.096800      0.2338000    
 C   -3.695800     -0.1184000     -0.6197000    
 C   -2.816200       1.751700      0.6317000    
 C    3.726300       4.128100      0.3960000    
 C    4.414800       1.839900      0.6468000    
 C   -4.932400      0.5211000     -0.7060000    
 C   -4.052900       2.391100      0.5453000    
 C   -5.111100       1.775900     -0.1236000    
 H  -6.7500003E-02  0.7608000       1.484900    
 H  -0.3172000       1.638200     -5.3100001E-02
 H    1.801400       2.351700       1.012900    
 H    1.523700       3.002800     -0.6257000    
 H    3.420000      -1.331700     -0.1537000    
 H  -0.5999000      -4.158700      0.4076000    
 H    3.633700      -3.749400      4.2199999E-02
 H    1.626500      -5.173200      0.3308000    
 H   -3.590400      -1.065900      -1.137000    
 H   -2.029300       2.254100       1.185900    
 H    3.456600       4.219000       1.454500    
 H    3.109100       4.827200     -0.1793000    
 H    4.765600       4.451700      0.2723000    
 H    4.101800       1.748800       1.694100    
 H    5.445500       2.215900      0.6439000    
 H    4.484600      0.8364000      0.2209000    
 H   -5.753100      4.8300002E-02  -1.237800    
 H   -4.194200       3.365600       1.003700    
 H   -6.073500       2.274500     -0.1923000    


%chk=000063419-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000063419

0 1
O -2.235053 -2.230139 -0.590038
O 3.306138 0.134411 -0.544050
N 1.271537 -0.364039 0.485119
N -1.160471 -0.353656 0.349280
N 2.996294 2.930630 -0.267885
C 0.021972 0.044083 1.151450
C 1.331873 -1.783373 0.268572
C 0.082242 -2.452348 0.090694
C -1.205309 -1.700859 -0.074867
C 2.259437 0.542341 0.024516
C -2.250414 0.569436 0.175098
C 1.971647 2.041278 0.281334
C 2.539177 -2.523183 0.250189
C 0.058350 -3.859429 -0.068343
C 2.491004 -3.924245 0.093214
C 1.254916 -4.599493 -0.057768
C -3.043677 0.540990 -1.002711
C -2.525598 1.538706 1.176153
C 2.512285 4.318540 -0.403508
C 4.300289 2.845779 0.420855
C -4.081637 1.479829 -1.171776
C -3.560646 2.480928 0.990328
C -4.344083 2.458724 -0.184511
H -0.013473 -0.446736 2.145215
H -0.000033 1.129324 1.293553
H 1.827706 2.187453 1.389706
H 1.006555 2.296806 -0.198814
H 3.493743 -2.006350 0.349237
H -0.913755 -4.336975 -0.227241
H 3.428086 -4.491808 0.091406
H 1.231716 -5.687290 -0.178058
H -2.854466 -0.216844 -1.764989
H -1.965512 1.544068 2.118149
H 2.284383 4.815289 0.574779
H 1.597291 4.341636 -1.022579
H 3.282478 4.921727 -0.915370
H 4.246641 3.166073 1.493582
H 5.025344 3.498456 -0.095717
H 4.675357 1.812655 0.368425
H -4.685674 1.447726 -2.085158
H -3.762177 3.220332 1.773246
H -5.150783 3.185646 -0.326020


