%chk=000017277.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000017277

0 1
 O   -1.520700       1.218400      0.5680000    
 O   -2.665800      0.8299000      -1.386500    
 O    2.754700       1.260700      -1.603600    
 O    4.190400      0.2825000      0.5654000    
 N   -3.363300      -1.639800     -0.4492000    
 C   -2.124600      -1.043600      8.4299996E-02
 C  -0.9373000      -1.768000     -0.5947000    
 C   0.4363000      -1.216500     -0.2864000    
 C   -2.149600      -1.228200       1.608200    
 C   -2.165700      0.4294000     -0.3408000    
 C   0.9641000     -0.2243000      -1.095200    
 C    1.138200      -1.715300      0.7979000    
 C    2.231700      0.2841000     -0.8114000    
 C    2.405500      -1.206900       1.081900    
 C    2.952200     -0.2072000      0.2774000    
 C   -1.443200       2.609500      0.2407000    
 C  -0.7030000       3.335200       1.344000    
 H   -1.062900      -1.745900      -1.687700    
 H  -0.9533000      -2.836400     -0.3344000    
 H   -1.272700     -0.7857000       2.092000    
 H   -3.029400     -0.7442000       2.049500    
 H   -2.177200      -2.289200       1.882300    
 H   -3.399000      -2.630600     -0.2105000    
 H   -3.360000      -1.597700      -1.468100    
 H   0.4078000      0.1604000      -1.945600    
 H   0.7223000      -2.495100       1.429200    
 H    2.961800      -1.593900       1.931400    
 H  -0.9071000       2.732100     -0.7070000    
 H   -2.454900       3.018400      0.1425000    
 H  -0.6250000       4.403800       1.125800    
 H   -1.216700       3.205800       2.302400    
 H   0.3047000       2.924200       1.465600    
 H    3.721900       1.266600      -1.520800    
 H    4.291200       1.166400      0.1768000    


%chk=000017277-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000017277

0 1
O -1.652291 1.267409 0.559044
O -2.513481 0.698254 -1.521752
O 2.665726 1.473880 -1.552529
O 4.268750 0.457757 0.364910
N -3.454218 -1.646033 -0.306724
C -2.157897 -1.089707 0.134293
C -0.939194 -1.822285 -0.590843
C 0.447985 -1.264458 -0.319842
C -2.043102 -1.212130 1.664235
C -2.149463 0.368100 -0.364471
C 0.934102 -0.164234 -1.075558
C 1.274540 -1.816789 0.691312
C 2.201072 0.381476 -0.809745
C 2.556742 -1.280244 0.958808
C 3.013303 -0.181506 0.210389
C -1.504814 2.683755 0.088962
C -0.863867 3.458191 1.234936
H -1.161868 -1.791302 -1.674211
H -0.994088 -2.880482 -0.267553
H -1.091432 -0.795046 2.028118
H -2.876040 -0.679670 2.150701
H -2.096000 -2.279620 1.954285
H -3.581803 -2.634720 -0.071771
H -3.680767 -1.422785 -1.282114
H 0.333885 0.275074 -1.880122
H 0.918072 -2.674163 1.273102
H 3.189279 -1.720649 1.740094
H -0.879905 2.678276 -0.822003
H -2.507998 3.062060 -0.177558
H -0.734698 4.516555 0.943401
H -1.494457 3.420728 2.139757
H 0.127767 3.041738 1.480579
H 3.581516 1.702043 -1.241802
H 4.816044 0.029427 1.065073


