%chk=000058189.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000058189

0 1
 O    2.399300      -3.340400      0.2964000    
 O    2.758400       3.848800      0.1617000    
 N    2.454300      -1.008200      0.3714000    
 N   -1.190200     -0.5335000       1.095200    
 C   7.4999998E-03 -0.6028000      0.2567000    
 C    1.216500     -0.9188000       1.140400    
 C    3.161400      0.1974000      4.9600001E-02
 C    5.121300      -1.224500     -0.6278000    
 C    4.465100      0.1157000     -0.4713000    
 C    4.081900      -2.262900     -0.9932000    
 C   -2.365900     -0.2299000      0.2809000    
 C    2.920300      -2.269500     -2.2200000E-02
 C  -0.2077000      -1.660400     -0.8252000    
 C   -3.641700     -0.2604000       1.124900    
 C   -1.020700      0.4706000       2.144300    
 C    2.602800       1.468000      0.2627000    
 C    5.184600       1.283300     -0.7640000    
 C   -4.862400      2.9300001E-02  0.2870000    
 C    3.321000       2.626300     -4.5499999E-02
 C    4.610300       2.534600     -0.5589000    
 C   -5.290000       1.339600      0.1383000    
 C   -5.535900      -1.019700     -0.3194000    
 C   -6.419100       1.607600     -0.6360000    
 C   -6.664800     -0.7520000      -1.093800    
 C   -7.106300      0.5617000      -1.252000    
 H   0.1546000      0.3503000     -0.2641000    
 H    1.410300     -0.1984000       1.939000    
 H    1.049800      -1.877900       1.649100    
 H    5.889500      -1.193200      -1.408800    
 H    5.610700      -1.486800      0.3180000    
 H    4.542200      -3.257100      -1.001700    
 H    3.674400      -2.073600      -1.994100    
 H   -2.262200      0.7417000     -0.2210000    
 H   -2.527200     -0.9804000     -0.4980000    
 H  -0.5368000      -2.617300     -0.4044000    
 H  -0.9212000      -1.346100      -1.593300    
 H   0.7106000      -1.849200      -1.389100    
 H   -3.642000      0.4803000       1.930000    
 H   -3.754400      -1.237500       1.613600    
 H  -0.2537000      0.1909000       2.871300    
 H   -1.898200      0.5718000       2.786900    
 H  -0.7845000       1.461800       1.740300    
 H    1.612000       1.596900      0.6839000    
 H    6.199700       1.221500      -1.148300    
 H    5.175300       3.432400     -0.7931000    
 H   -4.760400       2.161600      0.6114000    
 H   -5.198700      -2.045800     -0.2035000    
 H    1.862000       3.729800      0.5199000    
 H   -6.762400       2.630500     -0.7600000    
 H   -7.199800      -1.566100      -1.573900    
 H   -7.985100      0.7703000      -1.855200    


%chk=000058189-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000058189

0 1
O 1.755468 -3.152146 -0.431756
O 3.720762 3.756118 0.773239
N 2.368565 -0.953678 0.085717
N -1.192937 0.288551 0.695133
C -0.025577 -0.029885 -0.192889
C 1.038325 -0.734012 0.713896
C 3.369740 0.075108 0.113484
C 5.102012 -1.707966 -0.381470
C 4.736669 -0.258220 -0.123340
C 3.969552 -2.401337 -1.162621
C -2.550312 0.229373 0.103564
C 2.618714 -2.226081 -0.474844
C -0.362662 -0.911194 -1.409581
C -3.661852 0.045772 1.177951
C -0.972876 1.539484 1.451056
C 3.019294 1.416016 0.419415
C 5.706600 0.765456 -0.071907
C -5.022905 -0.151216 0.527645
C 4.019807 2.412839 0.476685
C 5.372653 2.101777 0.226951
C -5.849377 0.959794 0.217041
C -5.474934 -1.448248 0.169719
C -7.092396 0.782889 -0.432244
C -6.716961 -1.631284 -0.478872
C -7.530471 -0.514962 -0.783781
H 0.405939 0.921731 -0.594068
H 1.188643 -0.162050 1.645574
H 0.637330 -1.725365 0.979838
H 6.053120 -1.776655 -0.938851
H 5.257027 -2.238162 0.581523
H 4.138676 -3.484723 -1.270978
H 3.896551 -1.968125 -2.180844
H -2.787522 1.139014 -0.506100
H -2.606570 -0.635906 -0.574394
H -0.796189 -1.879497 -1.105544
H -1.048665 -0.402536 -2.108936
H 0.567212 -1.132568 -1.960113
H -3.693761 0.925751 1.846952
H -3.384669 -0.828821 1.794854
H 0.004702 1.517611 1.964437
H -1.739856 1.660141 2.234040
H -1.002737 2.448621 0.795921
H 1.975557 1.695037 0.593302
H 6.755109 0.505619 -0.260023
H 6.124911 2.893375 0.269833
H -5.518932 1.969210 0.493859
H -4.851221 -2.319189 0.408057
H 2.750897 3.878536 0.925316
H -7.719057 1.652916 -0.660013
H -7.051854 -2.641188 -0.742203
H -8.495039 -0.655425 -1.284530


