%chk=000036893.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000036893

1 1
 O   -1.254500      0.5050000     -3.4100000E-02
 N    1.000600      0.9125000     -0.4908000    
 N    2.730600       1.868100      0.3900000    
 N   -4.882400     -7.7900000E-02  0.1413000    
 C    1.914600     -9.3400002E-02 -0.2529000    
 C    3.031400      0.5236000      0.3157000    
 C  -0.3151000      0.7432000      -1.076600    
 C   -3.516900      8.5500002E-02  0.6174000    
 C   -2.569300      0.3349000     -0.5451000    
 C    1.505800       2.086800     -9.9100001E-02
 C    1.854200      -1.462600     -0.4845000    
 C    4.166000     -0.1856000      0.6922000    
 C    2.991700      -2.191900     -0.1096000    
 C    4.120100      -1.568500      0.4647000    
 C   -5.802300     -0.2766000       1.263900    
 C   -4.974500      -1.202900     -0.7926000    
 H  -0.5769000       1.661700      -1.614600    
 H  -0.3027000     -8.9500003E-02  -1.787700    
 H   -3.175200     -0.7868000       1.191200    
 H   -3.453600      0.9403000       1.303300    
 H   -2.866900       1.235300      -1.096200    
 H   -2.538800     -0.5130000      -1.236200    
 H    1.017900       3.045800     -0.1613000    
 H    3.346500       2.586500      0.7608000    
 H   0.9857000      -1.937300     -0.9227000    
 H    5.025000      0.3045000       1.132000    
 H    3.005800      -3.268500     -0.2647000    
 H    4.977800      -2.179100      0.7383000    
 H   -5.759000      0.5753000       1.951700    
 H   -5.574500      -1.188200       1.828200    
 H   -6.836900     -0.3387000      0.9086000    
 H   -6.024500      -1.418400      -1.026600    
 H   -4.530200      -2.120100     -0.3892000    
 H   -4.515200     -0.9707000      -1.758300    


%chk=000036893-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000036893

1 1
O -1.150176 0.603738 -0.112207
N 1.069445 1.200204 -0.534142
N 2.936671 1.919667 0.420870
N -4.737238 -0.439331 0.087676
C 1.857996 0.049084 -0.270590
C 3.064041 0.513690 0.332956
C -0.288424 1.191564 -1.106768
C -3.364778 -0.172422 0.559338
C -2.550520 0.423202 -0.600538
C 1.737288 2.300814 -0.095953
C 1.624115 -1.321051 -0.499077
C 4.094356 -0.367011 0.717735
C 2.654410 -2.202964 -0.117971
C 3.865232 -1.736121 0.476096
C -5.799449 -0.117675 1.063234
C -4.909976 -1.768639 -0.532457
H -0.568050 2.238432 -1.349674
H -0.269358 0.596560 -2.044957
H -2.848930 -1.082070 0.946851
H -3.391191 0.560724 1.384446
H -2.976328 1.401152 -0.899120
H -2.547522 -0.253576 -1.479960
H 1.368487 3.321302 -0.149606
H 3.630129 2.560292 0.810587
H 0.688140 -1.686326 -0.927780
H 5.021524 -0.017774 1.180510
H 2.521055 -3.277658 -0.273061
H 4.633334 -2.462738 0.756604
H -5.688119 0.922948 1.414051
H -5.802474 -0.790003 1.955149
H -6.784750 -0.202737 0.572379
H -5.901432 -1.826922 -1.013899
H -4.832598 -2.606105 0.203550
H -4.150609 -1.932948 -1.317773


