%chk=000003626.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000003626

0 1
 O    3.722900      0.9215000       1.101900    
 O    3.209200      -1.278400       1.345000    
 N    2.440800      -1.492300      -1.264000    
 N   -2.520500     -5.2299999E-02 -0.3259000    
 N   -4.213900      -1.632000     -0.2289000    
 N   -4.463700      0.2332000       1.057200    
 C   0.3972000      0.5164000     -0.2654000    
 C    1.702100      0.8588000     -0.9985000    
 C  -0.6908000       1.553600     -0.5656000    
 C    2.831900     -0.1623000     -0.7995000    
 C   -2.006900       1.237900      0.1365000    
 C    3.254800     -0.2722000      0.6518000    
 C   -3.663100     -0.4320000      0.1554000    
 H   5.2299999E-02 -0.4770000     -0.5723000    
 H   0.5740000      0.4794000      0.8159000    
 H    2.042500       1.849200     -0.6704000    
 H    1.494100      0.9475000      -2.073200    
 H  -0.3477000       2.546200     -0.2502000    
 H  -0.8598000       1.599000      -1.648600    
 H    3.711000      0.1513000      -1.375100    
 H   -1.843100       1.219600       1.220800    
 H   -2.720600       2.037900     -9.4899997E-02
 H    3.244500      -2.118400      -1.227200    
 H    2.162700      -1.444100      -2.243400    
 H    4.008300      0.8720000       2.039100    
 H   -3.740200      -2.237600     -0.8903000    
 H   -5.105800      -1.947400      0.1366000    
 H   -5.345000     -0.1634000       1.365100    
 H   -4.207600       1.133400       1.446800    


%chk=000003626-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000003626

0 1
O 3.641330 0.971270 1.097090
O 3.352209 -1.324835 1.239923
N 2.461073 -1.492424 -1.358438
N -2.513389 -0.067624 -0.215256
N -4.280901 -1.610708 -0.379897
N -4.534533 0.183727 1.115390
C 0.437731 0.585751 -0.254042
C 1.710118 0.898472 -1.064139
C -0.704563 1.582093 -0.542121
C 2.845614 -0.163697 -0.893450
C -1.996807 1.243156 0.230934
C 3.283726 -0.273044 0.564322
C -3.703885 -0.453946 0.175913
H 0.089642 -0.435687 -0.488736
H 0.671261 0.609433 0.832259
H 2.114905 1.892049 -0.788640
H 1.460612 0.930672 -2.143933
H -0.384973 2.612763 -0.279474
H -0.937875 1.574373 -1.625388
H 3.738748 0.239737 -1.431128
H -1.756893 1.233573 1.322144
H -2.742316 2.060407 0.071491
H 2.679344 -2.270869 -0.735793
H 2.523591 -1.671282 -2.357663
H 3.927567 0.846031 2.042062
H -3.706872 -2.059301 -1.093063
H -4.838060 -2.219444 0.219333
H -5.542269 0.045458 1.088011
H -4.174534 0.981394 1.630990


