%chk=000052255.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000052255

0 1
 O   -3.163400      0.2424000     -4.3200001E-02
 O   -3.473500     -0.6741000       2.045600    
 N   -1.846800       3.451000     -0.1557000    
 N  -6.2199999E-02  -5.137500      -1.095500    
 C  -0.4016000       3.357300     -0.3248000    
 C   9.0999998E-02   1.969400      8.1000000E-02
 C    1.608300       1.852000     -7.9999998E-02
 C   -2.539400       2.796500      -1.267200    
 C    2.108000      0.4740000      0.3596000    
 C   -3.938200       2.364700     -0.8387000    
 C   -2.264000       4.850300     -5.1300000E-02
 C    3.606100      0.3599000      0.2383000    
 C   -3.889100       1.402300      0.3403000    
 C    4.176800     -9.8600000E-02 -0.9490000    
 C    4.421800      0.7126000       1.313300    
 C    5.563200     -0.2046000      -1.061200    
 C    5.808100      0.6067000       1.201200    
 C    6.378800      0.1481000      1.3900000E-02
 C   -3.029500     -0.7222000      0.9091000    
 C   -2.253900      -1.875100      0.3858000    
 C   -2.001000      -2.975200       1.205300    
 C   -1.778700      -1.858400     -0.9255000    
 C   -1.272800      -4.058500      0.7137000    
 C   -1.050400      -2.941600      -1.417300    
 C  -0.7975000      -4.041600     -0.5977000    
 H  -9.7700000E-02   3.600900      -1.351200    
 H   0.1002000       4.082100      0.3302000    
 H  -0.3776000       1.183300     -0.5196000    
 H  -0.1803000       1.774500       1.126700    
 H    1.881900       2.031600      -1.127400    
 H    2.101000       2.632500      0.5137000    
 H   -2.605400       3.458200      -2.141300    
 H   -2.009400       1.906200      -1.622600    
 H    1.630400     -0.3105000     -0.2414000    
 H    1.810600      0.2774000       1.397700    
 H   -4.566900       3.225800     -0.5894000    
 H   -4.411400       1.862200      -1.691700    
 H   -1.780600       5.328900      0.8083000    
 H   -2.009500       5.426700     -0.9484000    
 H   -3.340800       4.939300      0.1230000    
 H   -3.428100       1.864400       1.220600    
 H   -4.913500       1.111300      0.6020000    
 H    3.551800     -0.3747000      -1.794100    
 H    3.989100       1.072900       2.242900    
 H    6.007600     -0.5613000      -1.985800    
 H    6.443300      0.8818000       2.038100    
 H    7.458200      6.5899998E-02 -7.3500000E-02
 H   -2.362500      -3.007600       2.229700    
 H   -1.951300      -1.022500      -1.597300    
 H   -1.082400      -4.910000       1.361900    
 H  -0.6848000      -2.916800      -2.440700    
 H   0.1236000      -5.934300     -0.5011000    
 H   0.2848000      -5.124600      -2.045300    


%chk=000052255-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000052255

0 1
O -3.256031 0.197759 -0.042289
O -2.525228 -0.317708 2.117474
N -1.933640 3.635650 -0.318642
N 0.069324 -5.115855 -1.435261
C -0.467512 3.417488 -0.425428
C -0.029466 2.036892 0.107225
C 1.496268 1.816921 0.015244
C -2.739009 2.856712 -1.291452
C 1.920810 0.423829 0.560972
C -4.088700 2.384658 -0.699683
C -2.306268 5.063379 -0.294986
C 3.421454 0.193671 0.468270
C -3.899445 1.437151 0.485614
C 4.006316 -0.321210 -0.718509
C 4.279535 0.529802 1.547778
C 5.404978 -0.492392 -0.826736
C 5.679293 0.360823 1.446037
C 6.248235 -0.150484 0.256446
C -2.569434 -0.596715 0.889959
C -1.912103 -1.761123 0.252201
C -1.136329 -2.631385 1.065881
C -2.016462 -2.038774 -1.138163
C -0.478782 -3.739916 0.515215
C -1.365039 -3.147464 -1.700367
C -0.581406 -4.018160 -0.882523
H -0.100691 3.547231 -1.477303
H 0.029555 4.202128 0.178306
H -0.541571 1.230913 -0.455249
H -0.365424 1.944254 1.158533
H 1.830956 1.911237 -1.038236
H 2.029729 2.605827 0.583928
H -2.930732 3.444902 -2.222944
H -2.168468 1.960954 -1.591113
H 1.376736 -0.357321 -0.006053
H 1.585651 0.342121 1.613461
H -4.677279 3.255212 -0.348006
H -4.683705 1.887909 -1.490898
H -1.785252 5.574662 0.534126
H -2.060470 5.602583 -1.245739
H -3.392541 5.169086 -0.122368
H -3.238878 1.884865 1.247437
H -4.859757 1.150249 0.952058
H 3.356604 -0.594252 -1.559933
H 3.844200 0.922326 2.475599
H 5.836940 -0.894359 -1.750816
H 6.324374 0.623257 2.292736
H 7.333069 -0.284292 0.175998
H -1.062626 -2.412315 2.136457
H -2.616992 -1.375031 -1.766841
H 0.119523 -4.398569 1.156242
H -1.455868 -3.351298 -2.774351
H 0.632852 -5.732846 -0.857135
H -0.000892 -5.319582 -2.428175


