%chk=000052660.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000052660

0 1
 O   -1.630800     -5.0500002E-02  -2.213200    
 N    2.348600     -0.2096000     -0.7194000    
 C    3.802300     -0.7869000       1.337400    
 C    5.443500     -0.7281000     -0.4128000    
 C    4.617600      -1.699800      0.4250000    
 C    4.720900      0.4149000       1.613200    
 C    5.863200      0.3322000      0.6037000    
 C    2.438200     -0.3907000      0.7381000    
 C    4.674300     -0.1352000      -1.600200    
 C    3.388600      0.6441000      -1.293700    
 C   -2.495700      -1.332400     -0.4281000    
 C   -1.520600     -0.2124000     -0.7860000    
 C    1.014700      0.2859000      -1.070700    
 C  -5.8499999E-02 -0.6363000     -0.4858000    
 C   -2.504900      -1.579700       1.086500    
 C   -3.906300      -1.006300     -0.9370000    
 C   -3.512000      -2.659600       1.475300    
 C   -4.911200      -2.086900     -0.5446000    
 C   -4.911000      -2.336100      0.9604000    
 C   -1.849200       1.146800     -0.1731000    
 C   -1.322000       1.462200       1.059900    
 C   -2.662000       2.010200     -0.8741000    
 C   -1.622500       2.703800       1.620100    
 C   -2.962400       3.251900     -0.3140000    
 C   -2.442700       3.598600      0.9331000    
 H    3.602800      -1.301200       2.286700    
 H    6.330000      -1.236000     -0.8113000    
 H    5.291600      -2.314400       1.035800    
 H    4.007800      -2.383000     -0.1746000    
 H    5.128000      0.3570000       2.629700    
 H    4.192800       1.371400       1.544700    
 H    6.774400      4.9999999E-03   1.119900    
 H    6.082000       1.303200      0.1480000    
 H    2.050100      0.4833000       1.277400    
 H    1.821500      -1.253400       1.010700    
 H    4.434400     -0.9481000      -2.299000    
 H    5.350800      0.5360000      -2.145800    
 H    3.579700       1.531100     -0.6796000    
 H    3.048700       1.032600      -2.263700    
 H   -2.182400      -2.259300     -0.9301000    
 H   0.9111000      0.3015000      -2.162400    
 H   0.8876000       1.315400     -0.7163000    
 H   0.1045000      -1.631700     -0.9256000    
 H   3.7999999E-02 -0.7664000      0.5892000    
 H   -1.522300      -1.899700       1.446400    
 H   -2.779400     -0.6746000       1.637400    
 H   -3.921400     -0.9032000      -2.027900    
 H   -4.273000     -6.4800002E-02 -0.5152000    
 H   -3.536900      -2.766300       2.565800    
 H   -3.187200      -3.624900       1.067700    
 H   -4.667600      -3.019100      -1.069200    
 H   -5.915800      -1.792200     -0.8684000    
 H   -5.591500      -3.161500       1.197700    
 H   -5.293700      -1.447500       1.477500    
 H   -1.361600     -0.8851000      -2.634000    
 H  -0.6999000      0.7947000       1.643000    
 H   -3.091600       1.770700      -1.841400    
 H   -1.222500       2.972100       2.593500    
 H   -3.603300       3.948000     -0.8474000    
 H   -2.678300       4.564600       1.370100    


%chk=000052660-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000052660

0 1
O -1.427782 0.000083 -2.132001
N 2.395454 -0.045283 -0.365709
C 4.146410 -0.680718 1.421090
C 5.428992 -0.984278 -0.654297
C 4.631738 -1.770803 0.423031
C 5.287554 0.397224 1.410272
C 6.205390 0.070063 0.188976
C 2.733787 -0.125061 1.077854
C 4.512853 -0.340661 -1.724449
C 3.420867 0.627551 -1.209568
C -2.532754 -1.281859 -0.333089
C -1.494502 -0.133599 -0.647152
C 1.021088 0.482882 -0.576479
C -0.074132 -0.515027 -0.137549
C -2.681490 -1.657934 1.165248
C -3.931780 -0.988478 -0.935528
C -3.634868 -2.865970 1.347776
C -4.881159 -2.198109 -0.772302
C -5.021256 -2.603801 0.713378
C -1.956324 1.237442 -0.130995
C -1.814235 1.587620 1.237412
C -2.556019 2.176345 -1.007866
C -2.266899 2.836083 1.718062
C -3.005529 3.427719 -0.529805
C -2.867293 3.763955 0.836224
H 4.060416 -1.106644 2.439579
H 6.135566 -1.654249 -1.183692
H 5.308215 -2.479151 0.940634
H 3.790682 -2.341470 -0.008866
H 5.864232 0.365386 2.353162
H 4.859244 1.414552 1.337198
H 7.163196 -0.361498 0.536638
H 6.453698 0.970137 -0.404744
H 2.627013 0.879473 1.569792
H 1.981847 -0.787150 1.548587
H 4.002841 -1.144314 -2.291805
H 5.151128 0.215682 -2.443695
H 3.887864 1.499190 -0.689640
H 2.903653 1.043485 -2.094732
H -2.127495 -2.185953 -0.850145
H 0.886951 0.671757 -1.656405
H 0.863569 1.458700 -0.052851
H 0.190089 -1.515678 -0.538861
H -0.091792 -0.611317 0.962443
H -1.698256 -1.901633 1.611214
H -3.088123 -0.788753 1.719572
H -3.829717 -0.716071 -2.002161
H -4.369990 -0.110056 -0.421043
H -3.743482 -3.095667 2.425879
H -3.181544 -3.762327 0.874553
H -4.486493 -3.059761 -1.351352
H -5.874504 -1.956638 -1.198374
H -5.662302 -3.501586 0.811569
H -5.526356 -1.784994 1.266515
H -1.169990 -0.886069 -2.494381
H -1.338215 0.892781 1.938197
H -2.649392 1.917963 -2.065577
H -2.145263 3.085460 2.778508
H -3.462132 4.140749 -1.226118
H -3.215769 4.734577 1.207171


