%chk=000041320.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000041320

0 1
 O   -6.914800       1.791300     -2.2700001E-02
 N   -5.997400     -9.6000001E-02 -0.2375000    
 N   -6.416300      0.8418000      0.5936000    
 C    1.558300      0.2087000     -0.1395000    
 C   0.2951000     -0.5563000      0.2661000    
 C    2.854800     -0.4977000      0.2664000    
 C  -0.9984000      0.1126000     -0.2040000    
 C    4.080800      0.2755000     -0.2268000    
 C   -2.228400     -0.6755000      0.2549000    
 C    5.410000     -0.3738000      0.1699000    
 C   -3.523700      9.4999997E-03 -0.1915000    
 C    6.635000      0.4370000     -0.2590000    
 C   -4.780000     -0.7785000      0.1836000    
 C    7.929300     -0.2188000      0.2248000    
 C    9.148800      0.6012000     -0.1647000    
 C   -7.053000      -1.081100     -0.5135000    
 H    1.532800       1.209300      0.3094000    
 H    1.552100      0.3499000      -1.227600    
 H   0.3432000      -1.572000     -0.1459000    
 H   0.2770000     -0.6586000       1.358200    
 H    2.892300     -0.5965000       1.357700    
 H    2.870000      -1.511000     -0.1523000    
 H  -0.9949000      0.1903000      -1.297800    
 H   -1.045900       1.133700      0.1933000    
 H    4.039800      0.3667000      -1.319300    
 H    4.047400       1.295000      0.1773000    
 H   -2.223800     -0.7698000       1.347400    
 H   -2.188000      -1.690400     -0.1586000    
 H    5.428900     -0.5037000       1.259300    
 H    5.465700      -1.377500     -0.2692000    
 H   -3.499600      0.1524000      -1.279700    
 H   -3.562800       1.010000      0.2579000    
 H    6.562700       1.451600      0.1511000    
 H    6.650200      0.5297000      -1.351500    
 H   -4.790600     -0.9984000       1.260500    
 H   -4.694900      -1.751700     -0.3198000    
 H    7.906500     -0.3298000       1.315200    
 H    8.018800      -1.224500     -0.2021000    
 H    10.06240      0.1135000      0.1893000    
 H    9.219300      0.7068000      -1.252000    
 H    9.105500       1.602500      0.2759000    
 H   -6.737000      -1.774800      -1.301700    
 H   -7.964300     -0.5956000     -0.8855000    
 H   -7.315600      -1.666200      0.3768000    


%chk=000041320-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000041320

0 1
O -8.032340 0.735175 0.718087
N -6.151466 -0.364443 0.134259
N -6.918333 0.232522 1.125502
C 1.508394 0.114861 -0.180774
C 0.273034 -0.601106 0.410082
C 2.850247 -0.454965 0.331701
C -1.066999 -0.022118 -0.096735
C 4.084758 0.260994 -0.261098
C -2.302608 -0.742171 0.488797
C 5.427684 -0.303382 0.255029
C -3.638627 -0.151376 -0.015374
C 6.661770 0.415033 -0.335814
C -4.853726 -0.900110 0.578403
C 8.005101 -0.148000 0.182105
C 9.232097 0.578079 -0.410798
C -6.589293 -0.439479 -1.268700
H 1.454813 1.197153 0.060758
H 1.479273 0.042440 -1.288347
H 0.323150 -1.682354 0.162934
H 0.305751 -0.533790 1.517701
H 2.880654 -0.380453 1.439058
H 2.904490 -1.537754 0.092093
H -1.096938 -0.084473 -1.204781
H -1.118042 1.057479 0.155452
H 4.056650 0.183751 -1.368394
H 4.028406 1.344333 -0.024558
H -2.269078 -0.685088 1.596576
H -2.252786 -1.820818 0.229911
H 5.455354 -0.227125 1.362427
H 5.485660 -1.386473 0.017376
H -3.665337 -0.203916 -1.122544
H -3.703925 0.919537 0.259782
H 6.604741 1.498320 -0.098871
H 6.636724 0.338466 -1.443286
H -4.852070 -0.820204 1.680204
H -4.793093 -1.975339 0.312024
H 8.028405 -0.073108 1.288634
H 8.062343 -1.229758 -0.056785
H 10.179105 0.157610 -0.024974
H 9.248437 0.491894 -1.513871
H 9.213578 1.655720 -0.160134
H -6.143729 0.369490 -1.877501
H -7.685873 -0.319077 -1.285304
H -6.299055 -1.415180 -1.693854


