%chk=000058488.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000058488

0 1
 O    4.122600       1.870700     -0.6475000    
 O    5.770200       3.250400     -0.1728000    
 N    4.211000     -0.5652000     -0.1089000    
 N    5.903700       1.057800      0.3371000    
 N    6.280400      -1.097600      0.9481000    
 N    5.238500       2.136100     -0.1886000    
 C   -2.524700     -0.9954000     -0.4067000    
 C   -3.626600     -0.1577000      0.2511000    
 C   -1.139100     -0.7556000      0.1975000    
 C   -5.052900     -0.4149000     -0.2481000    
 C  -3.5900000E-02  -1.583600     -0.4690000    
 C   -6.098700      0.4933000      0.4035000    
 C    1.354600      -1.326400      0.1176000    
 C   -7.510100      0.2962000     -0.1597000    
 C    2.420800      -2.157300     -0.6041000    
 C   -8.553100       1.220600      0.4695000    
 C    3.810800      -1.969300     -6.6000000E-03
 C   -9.946100      0.9321000     -6.9600001E-02
 C    5.374500     -0.2344000      0.3573000    
 H   -2.498900     -0.7719000      -1.480100    
 H   -2.778800      -2.058100     -0.3103000    
 H   -3.388000      0.9038000      0.1064000    
 H   -3.603200     -0.3335000       1.334300    
 H   -1.166200     -0.9894000       1.268900    
 H  -0.8900000      0.3094000      0.1119000    
 H   -5.077300     -0.2691000      -1.335000    
 H   -5.316100      -1.463500     -6.3500002E-02
 H  -0.2794000      -2.648900     -0.3718000    
 H  -2.1299999E-02  -1.358600      -1.542800    
 H   -5.803600       1.540500      0.2620000    
 H   -6.111000      0.3112000       1.485000    
 H    1.351800      -1.575800       1.185500    
 H    1.587100     -0.2584000      3.4400001E-02
 H   -7.809500     -0.7478000     -4.1000000E-03
 H   -7.491200      0.4609000      -1.244300    
 H    2.155000      -3.220000     -0.5548000    
 H    2.439400      -1.878100      -1.664900    
 H   -8.292800       2.265800      0.2670000    
 H   -8.555200       1.090900       1.557900    
 H    4.513300      -2.606300     -0.5574000    
 H    3.796000      -2.290200       1.042000    
 H   -10.24680     -9.7300000E-02  0.1499000    
 H   -10.67680       1.604700      0.3904000    
 H   -9.984900       1.078300      -1.153800    
 H    6.831100       1.168500      0.7401000    
 H    7.175600     -0.7660000       1.290700    
 H    6.091400      -2.087000       1.061300    


%chk=000058488-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000058488

0 1
O 5.413858 2.469170 1.474959
O 6.113984 3.178802 -0.597153
N 4.571643 -1.067337 -0.668750
N 5.293890 1.069230 -0.375345
N 4.436868 -0.063506 1.561883
N 5.619907 2.298356 0.202805
C -2.372213 -1.084893 -0.427159
C -3.416093 -0.227017 0.322635
C -0.941785 -0.948991 0.141773
C -4.841873 -0.352355 -0.260414
C 0.095918 -1.814886 -0.607325
C -5.889483 0.501018 0.489631
C 1.533088 -1.662497 -0.059908
C -7.312425 0.382889 -0.101959
C 2.556032 -2.547657 -0.804304
C -8.361584 1.234367 0.649056
C 4.014438 -2.382080 -0.304591
C -9.778561 1.114328 0.047101
C 4.720810 -0.115042 0.212862
H -2.366905 -0.799000 -1.499940
H -2.681004 -2.150835 -0.391900
H -3.102528 0.837719 0.296370
H -3.430982 -0.519813 1.393535
H -0.946764 -1.228321 1.216447
H -0.630395 0.115692 0.098836
H -4.826572 -0.055500 -1.330161
H -5.154217 -1.417647 -0.238856
H -0.207894 -2.881392 -0.551746
H 0.088074 -1.545694 -1.684142
H -5.574092 1.565511 0.473789
H -5.910878 0.199780 1.558105
H 1.538435 -1.921340 1.021482
H 1.840009 -0.599884 -0.134907
H -7.628855 -0.681391 -0.088713
H -7.292437 0.686953 -1.169649
H 2.271877 -3.614634 -0.698883
H 2.533765 -2.311656 -1.886097
H -8.042822 2.296847 0.638381
H -8.383756 0.927778 1.714918
H 4.643461 -3.145761 -0.799514
H 4.047300 -2.602135 0.790333
H -10.132039 0.066046 0.072395
H -10.509655 1.730962 0.601881
H -9.789290 1.445175 -1.008734
H 5.499804 1.005967 -1.377479
H 4.656898 0.786096 2.088803
H 3.984641 -0.857524 2.004650


