%chk=000022693.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000022693

0 1
 O  -0.2680000     -0.7616000       1.348300    
 O  -0.5187000     -3.1800002E-02 -0.9048000    
 O    3.030200      -1.479600      0.5001000    
 O    1.814200      -1.355300      -1.333000    
 N    2.205600     -0.9347000     -0.2400000    
 C   -1.164200     -0.2360000      0.3597000    
 C    1.606900      0.3443000      0.2404000    
 C   -1.883500       1.032700      0.8636000    
 C   -2.213200      -1.341100      0.1283000    
 C   -2.995800       1.485000     -8.1400000E-02
 C   -3.334300     -0.9058000     -0.8140000    
 C   0.8943000      3.8899999E-02   1.556300    
 C   0.6332000      0.8071000     -0.8404000    
 C   -4.008700      0.3720000     -0.3271000    
 C    2.761500       1.322500      0.4311000    
 C    3.440600       1.643400     -0.8871000    
 H   -1.184700       1.865600      0.9920000    
 H   -2.300100      0.8416000       1.861400    
 H   -2.641200      -1.654600       1.089700    
 H   -1.725200      -2.230600     -0.2912000    
 H   -2.562800       1.806100      -1.036500    
 H   -3.506400       2.356400      0.3443000    
 H   -4.078400      -1.706400     -0.8934000    
 H   -2.932100     -0.7470000      -1.821900    
 H    1.535000     -0.4924000       2.269400    
 H   0.5931000      0.9655000       2.058800    
 H   0.3000000       1.832400     -0.6393000    
 H    1.060600      0.8367000      -1.849500    
 H   -4.552500      0.1641000      0.6028000    
 H   -4.750600      0.7024000      -1.062800    
 H    3.506900      0.9381000       1.138900    
 H    2.386000       2.258600      0.8638000    
 H    3.813200      0.7562000      -1.406800    
 H    2.789500       2.203900      -1.564300    
 H    4.308600       2.284900     -0.6956000    


%chk=000022693-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000022693

0 1
O -0.295799 -0.778045 1.349882
O -0.587283 -0.048185 -0.932798
O 2.933848 -1.676852 0.588505
O 2.292605 -1.277231 -1.554255
N 2.312314 -0.991203 -0.304833
C -1.263376 -0.240128 0.368825
C 1.623382 0.332367 0.177854
C -1.932132 1.063997 0.867029
C -2.281334 -1.362796 0.145910
C -3.078526 1.501235 -0.078860
C -3.432258 -0.919990 -0.786465
C 0.901402 0.046248 1.517405
C 0.605532 0.801735 -0.882092
C -4.114554 0.367759 -0.266330
C 2.776218 1.354139 0.404011
C 3.616320 1.696617 -0.845306
H -1.196013 1.883319 0.973533
H -2.334608 0.858729 1.878055
H -2.677047 -1.654350 1.137110
H -1.741289 -2.230907 -0.269714
H -2.652386 1.769791 -1.065537
H -3.563880 2.409026 0.328095
H -4.169802 -1.739987 -0.873079
H -3.025261 -0.737834 -1.799316
H 1.557902 -0.527645 2.188555
H 0.658277 1.022908 1.986497
H 0.343892 1.857369 -0.654687
H 1.030015 0.742034 -1.894112
H -4.608908 0.158460 0.705350
H -4.906780 0.692036 -0.967810
H 3.432965 0.952740 1.199490
H 2.314520 2.278244 0.803649
H 4.101196 0.802241 -1.274069
H 3.006780 2.164885 -1.638445
H 4.413070 2.410775 -0.572248


