%chk=000052457.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000052457

0 1
 O  -8.6599998E-02  -1.462300     -0.4586000    
 O    6.674900      0.1928000     -0.4552000    
 O   5.8600001E-02 -0.9378000       1.777800    
 O   -5.149400       2.155400      0.3174000    
 N   -3.170600      -3.387300      0.1490000    
 C   -2.331700      -2.226800     -0.1482000    
 C  -0.8614000      -2.613300     -0.1493000    
 C    1.107000      0.4703000      0.1246000    
 C    2.572900      0.3978000     -2.7799999E-02
 C   0.4058000       1.585700     -0.1629000    
 C   -1.051200       1.734500     -3.6899999E-02
 C   0.3133000     -0.7036000      0.6048000    
 C   -4.582500      -3.006700      0.1659000    
 C   -2.939100      -4.449200     -0.8294000    
 C    3.190800       1.166400     -0.9993000    
 C    3.298500     -0.4380000      0.8038000    
 C   -1.863300       1.439600      -1.122100    
 C   -1.590700       2.168200       1.165200    
 C    4.576500       1.097100      -1.143500    
 C    4.684200     -0.5072000      0.6596000    
 C    5.323200      0.2605000     -0.3141000    
 C   -3.245800       1.581600      -1.002400    
 C   -2.973100       2.309900       1.284900    
 C   -3.800700       2.016700      0.2010000    
 C    7.377100     -0.6830000      0.4257000    
 C   -5.936400       1.838600     -0.8299000    
 H   -2.494500      -1.448700      0.6081000    
 H   -2.594400      -1.773000      -1.113300    
 H  -0.6246000      -3.329700     -0.9409000    
 H  -0.5512000      -3.068100      0.7997000    
 H   0.8961000       2.498200     -0.4933000    
 H   -5.209500      -3.860800      0.4452000    
 H   -4.922000      -2.631900     -0.8066000    
 H   -4.762700      -2.228700      0.9165000    
 H   -1.968700      -4.934000     -0.6847000    
 H   -3.017200      -4.092800      -1.863100    
 H   -3.675100      -5.252500     -0.7006000    
 H    2.642200       1.810200      -1.680300    
 H    2.826400      -1.040300       1.574600    
 H   -1.442400       1.098600      -2.064400    
 H  -0.9568000       2.400000       2.017200    
 H    5.068700       1.693100      -1.907400    
 H    5.203100      -1.176100       1.337600    
 H   -3.829600       1.335200      -1.882700    
 H   -3.399700       2.649000       2.225000    
 H    7.275100     -0.3696000       1.470200    
 H    7.082100      -1.726900      0.2748000    
 H    8.440100     -0.6116000      0.1730000    
 H   -5.841300      0.7822000      -1.103400    
 H   -6.984200       2.005700     -0.5594000    
 H   -5.712300       2.506500      -1.668600    


%chk=000052457-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000052457

0 1
O -0.236399 -1.644829 -0.483518
O 6.748113 0.380229 -0.337322
O 0.410396 -1.253978 1.722090
O -5.367183 2.401009 -0.633468
N -2.917317 -4.100002 0.596117
C -2.259673 -2.777872 0.477283
C -0.832235 -2.956827 -0.073991
C 1.008057 0.346650 -0.059046
C 2.498505 0.326510 -0.103492
C 0.273827 1.407713 -0.532064
C -1.179639 1.631822 -0.543425
C 0.366643 -0.888238 0.519813
C -3.857504 -4.193468 1.730540
C -3.523194 -4.562554 -0.668821
C 3.207909 0.995597 -1.146672
C 3.263709 -0.361688 0.876431
C -1.704235 2.599460 -1.445283
C -2.105903 0.982054 0.329173
C 4.609744 0.997551 -1.193455
C 4.674797 -0.368500 0.840776
C 5.353876 0.317600 -0.195219
C -3.082706 2.885204 -1.523100
C -3.479225 1.259950 0.271721
C -3.979067 2.205132 -0.661376
C 7.561371 -0.320106 0.659869
C -5.932035 3.384339 -1.561370
H -2.196036 -2.319346 1.479741
H -2.825507 -2.074649 -0.180030
H -0.826977 -3.541468 -1.006858
H -0.186175 -3.433212 0.682040
H 0.855219 2.242173 -0.950800
H -4.215053 -5.234797 1.827671
H -4.754825 -3.532741 1.622929
H -3.340684 -3.923483 2.667914
H -2.780281 -4.534794 -1.484915
H -4.401149 -3.943560 -0.984437
H -3.861007 -5.608635 -0.558757
H 2.652250 1.489608 -1.951044
H 2.749745 -0.874105 1.695983
H -1.015059 3.131296 -2.112977
H -1.744713 0.285558 1.091505
H 5.151949 1.500809 -1.999831
H 5.224406 -0.900781 1.622786
H -3.439872 3.629730 -2.240591
H -4.186233 0.773060 0.950530
H 7.395600 0.090601 1.674888
H 7.349672 -1.407097 0.660613
H 8.603499 -0.145273 0.354783
H -5.741120 3.099976 -2.614488
H -7.014099 3.375411 -1.365046
H -5.526282 4.396863 -1.370503


