%chk=000176678.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000176678

0 1
 O    3.073900      1.0400000E-02   1.992400    
 O  -0.7012000      -1.018100      -1.436600    
 N   -1.310600      -1.480000      0.7540000    
 N    2.269400      -1.108000       1.811700    
 C   -2.659700     -0.9734000      0.6631000    
 C   0.9310000      -2.066700      2.5200000E-02
 C  -0.4322000      -1.458800     -0.3207000    
 C   -2.693900      0.5071000      0.2618000    
 C    1.512300      -2.805600      -1.196700    
 C    1.849900     -0.9944000      0.5686000    
 C   -3.320100      -1.165800       2.040800    
 C   -3.404300      -1.824800     -0.3820000    
 C    2.310200      0.1203000     -0.1100000    
 C   0.6130000      -3.929700      -1.695200    
 C   -1.639300       1.308800      0.6267000    
 C   -3.777600      0.9690000     -0.4451000    
 C    3.096300      0.7415000      0.8448000    
 C    2.189300      0.7056000      -1.379000    
 C   -1.670600       2.655000      0.2623000    
 C   -3.808900       2.315000     -0.8097000    
 C    3.791100       1.929300      0.6366000    
 C   -2.755300       3.157900     -0.4559000    
 C    2.876200       1.903200      -1.623800    
 C    3.661400       2.501900     -0.6331000    
 H   0.7738000      -2.822400      0.8087000    
 H  -0.9922000      -1.860000       1.641100    
 H    1.692700      -2.116600      -2.029400    
 H    2.488900      -3.228600     -0.9289000    
 H   -3.319200      -2.221100       2.338400    
 H   -2.788200     -0.6062000       2.820000    
 H   -4.359800     -0.8184000       2.039700    
 H   -3.203700      -2.892500     -0.2214000    
 H   -3.114100      -1.601000      -1.414500    
 H   -4.492600      -1.714500     -0.3102000    
 H    1.109700      -4.472800      -2.505900    
 H  -0.3378000      -3.554900      -2.084500    
 H   0.3997000      -4.644200     -0.8937000    
 H  -0.7964000      0.9536000       1.209900    
 H   -4.629300      0.3586000     -0.7188000    
 H    1.585300      0.2614000      -2.162800    
 H  -0.8530000       3.312700      0.5430000    
 H   -4.656200       2.708900      -1.363500    
 H    4.396800       2.385600       1.410000    
 H   -2.780800       4.206700     -0.7373000    
 H    2.795700       2.374100      -2.600300    
 H    4.181500       3.430800     -0.8538000    


%chk=000176678-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000176678

0 1
O 3.141639 -0.104867 2.008990
O -0.788297 -1.307803 -1.578715
N -1.306173 -1.554668 0.683679
N 2.332470 -1.327132 1.737077
C -2.680643 -0.962869 0.646680
C 0.933612 -2.254737 -0.067391
C -0.470794 -1.671003 -0.406336
C -2.612730 0.514486 0.184105
C 1.586004 -2.909599 -1.314832
C 1.796886 -1.154159 0.510414
C -3.206986 -0.999632 2.109106
C -3.584323 -1.846090 -0.250752
C 2.175464 0.117437 -0.080270
C 0.860188 -4.199512 -1.749369
C -1.593535 1.359349 0.695498
C -3.582973 1.079633 -0.678426
C 3.016662 0.728885 0.887655
C 1.879691 0.796461 -1.290340
C -1.542305 2.726970 0.354391
C -3.537740 2.450857 -1.020067
C 3.610250 1.991451 0.711972
C -2.519191 3.282229 -0.504582
C 2.463552 2.062810 -1.486737
C 3.318140 2.646859 -0.503602
H 0.822161 -3.027482 0.719907
H -0.955985 -1.872883 1.590937
H 1.572283 -2.181010 -2.145128
H 2.644237 -3.129373 -1.078344
H -3.269108 -2.040794 2.479170
H -2.555709 -0.414040 2.783389
H -4.216041 -0.557556 2.152795
H -3.539808 -2.891391 0.102697
H -3.243939 -1.811837 -1.297976
H -4.636738 -1.516810 -0.197800
H 1.361028 -4.651598 -2.624293
H -0.184754 -3.985014 -2.034619
H 0.856093 -4.952394 -0.938234
H -0.820413 0.941508 1.351713
H -4.372019 0.454378 -1.107192
H 1.199531 0.357880 -2.026710
H -0.737957 3.356053 0.752414
H -4.295547 2.866203 -1.694362
H 4.257021 2.435245 1.473059
H -2.482190 4.344188 -0.772266
H 2.254538 2.617096 -2.407406
H 3.755548 3.633179 -0.693898


