%chk=000060166.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000060166

0 1
 O    6.370600      0.1532000     -0.9524000    
 O   -3.791100     -0.8577000     -0.2027000    
 O    2.138700      -3.130700      0.1240000    
 N    2.756200       1.922600      0.1987000    
 N   -1.393200      0.6077000     -0.2947000    
 C    3.130700      0.6728000      0.8762000    
 C    3.911900       2.820100      5.9000000E-02
 C    5.448200      0.8271000     -0.1058000    
 C    4.227200     -6.2199999E-02  0.1061000    
 C    5.032700       2.152900     -0.7373000    
 C    1.673600       2.591100      0.9203000    
 C   0.3979000       1.743600      0.9525000    
 C  -0.1501000       1.366400     -0.4234000    
 C   -1.349100     -0.7933000     -0.1735000    
 C   -2.621300       1.287000     -0.1947000    
 C   -2.569200      -1.494200     -0.1375000    
 C   -3.801400      0.5208000     -0.1580000    
 C  -0.1706000      -1.549000     -7.1199998E-02
 C   -2.757800       2.681700     -0.1143000    
 C   -2.613900      -2.888400     -3.3900000E-02
 C  -0.2111000      -2.943800      3.7999999E-02
 C   -5.063600       1.117800     -7.5000003E-02
 C   -1.430600      -3.612900      5.2000001E-02
 C   -4.018600       3.282800     -2.5900001E-02
 C   -5.170200       2.502300     -1.0700000E-02
 C    1.028800      -3.698900      0.1341000    
 C   0.9955000      -5.218700      0.2500000    
 H    2.296200     -2.1500001E-02  0.9628000    
 H    3.480200      0.8778000       1.897100    
 H    4.290800       3.126100       1.043100    
 H    3.613100       3.731500     -0.4729000    
 H    5.947100       1.010700      0.8526000    
 H    4.522200     -0.9709000      0.6448000    
 H    3.837600     -0.4050000     -0.8620000    
 H    4.708900       1.989200      -1.773900    
 H    5.900700       2.820100     -0.8002000    
 H    1.972700       2.837300       1.947400    
 H    1.432100       3.539200      0.4228000    
 H   0.5282000      0.8545000       1.579100    
 H  -0.3582000       2.333200       1.487600    
 H   0.5915000      0.8074000      -1.005300    
 H  -0.2999000       2.269300      -1.028700    
 H    5.937100     -2.4000001E-03  -1.808700    
 H   0.7964000      -1.064500     -9.7000003E-02
 H   -1.896800       3.343400     -0.1168000    
 H   -3.567300      -3.409400     -1.5000000E-02
 H   -5.962400      0.5074000     -5.4900002E-02
 H   -1.504800      -4.692400      0.1331000    
 H   -4.097300       4.364900      3.1399999E-02
 H   -6.146700       2.972200      5.6800000E-02
 H   0.5282000      -5.655700     -0.6362000    
 H   0.4727000      -5.517400       1.162300    
 H    2.021700      -5.595000      0.3106000    


%chk=000060166-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000060166

0 1
O 5.375586 -1.409107 -0.102435
O -3.611026 -0.945322 -0.096080
O 2.664377 -2.313500 -0.732113
N 2.667236 1.813222 0.455014
N -1.393303 0.876907 -0.205970
C 3.245831 1.247196 1.700307
C 3.729204 2.046119 -0.554943
C 4.924659 -0.061949 0.271491
C 3.891688 -0.123795 1.422218
C 4.360015 0.695164 -0.954314
C 1.736247 2.938453 0.702440
C 0.305381 2.399383 0.950884
C -0.278728 1.831467 -0.367764
C -1.166061 -0.524336 -0.264705
C -2.711501 1.367006 -0.007921
C -2.291031 -1.412633 -0.226247
C -3.807444 0.459235 0.042895
C 0.114110 -1.110999 -0.379781
C -3.012278 2.745756 0.133148
C -2.142621 -2.804631 -0.323486
C 0.278107 -2.524933 -0.499065
C -5.129010 0.884077 0.218233
C -0.860949 -3.368879 -0.468478
C -4.345286 3.188349 0.304058
C -5.409976 2.265540 0.348588
C 1.651590 -3.083391 -0.656140
C 1.846850 -4.594396 -0.725838
H 2.443400 1.135418 2.453133
H 4.006242 1.949904 2.132114
H 4.522995 2.736633 -0.166662
H 3.278268 2.529348 -1.442051
H 5.843708 0.444349 0.625313
H 4.382916 -0.509157 2.335541
H 3.097674 -0.836804 1.136099
H 3.579804 0.066391 -1.423177
H 5.168341 0.848251 -1.693679
H 2.057842 3.570683 1.563909
H 1.730320 3.599843 -0.187017
H 0.347511 1.594296 1.708166
H -0.340115 3.197567 1.365776
H 0.541299 1.324819 -0.901070
H -0.621443 2.658452 -1.019318
H 4.572544 -1.916141 -0.409416
H 1.022341 -0.499638 -0.373850
H -2.208371 3.484849 0.118376
H -3.044990 -3.421622 -0.292896
H -5.920339 0.129133 0.244856
H -0.759305 -4.453953 -0.555844
H -4.540937 4.260826 0.407140
H -6.441260 2.604825 0.483772
H 1.311189 -5.026582 -1.591132
H 1.462133 -5.089711 0.184465
H 2.920763 -4.811883 -0.826743


