%chk=000065833.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000065833

0 1
 O    1.331000      0.5231000       1.630100    
 N    1.552700      -1.322600      0.2263000    
 N    1.533500       3.717300      0.5269000    
 C   0.1138000      0.5998000     -0.3634000    
 C   0.5170000       1.954700     -0.8490000    
 C   0.5980000      0.7704000      -1.766900    
 C    1.777000       2.587800     -0.3822000    
 C   -1.316300      0.2791000     -0.1388000    
 C    1.053100     -6.7299999E-02  0.5895000    
 C   -1.924300      0.5868000       1.082600    
 C   -2.067200     -0.3356000      -1.145900    
 C    2.865400      -1.788700      0.6522000    
 C   0.7928000      -2.252000     -0.6045000    
 C   -3.269000      0.2828000       1.294700    
 C   -3.412000     -0.6396000     -0.9338000    
 C   -4.012800     -0.3302000      0.2866000    
 C    3.938500      -1.397900     -0.3499000    
 C  -7.1300000E-02  -3.167900      0.2457000    
 H  -0.2520000       2.682700      -1.087300    
 H  -7.1000002E-02  0.7990000      -2.618900    
 H    1.585100      0.4080000      -2.037300    
 H    2.285900       2.997900      -1.263900    
 H    2.501500       1.904600      6.7100003E-02
 H   -1.363100       1.071700       1.877000    
 H   -1.641500     -0.6040000      -2.107500    
 H   0.9997000       4.435700      3.8600001E-02
 H    2.425700       4.147100      0.7690000    
 H    3.103500      -1.324300       1.615600    
 H    2.844400      -2.873000      0.8037000    
 H   0.1748000      -1.738200      -1.334100    
 H    1.497600      -2.854700      -1.189600    
 H   -3.737300      0.5249000       2.244100    
 H   -3.991100      -1.119200      -1.717400    
 H   -5.059700     -0.5672000      0.4518000    
 H    3.746400      -1.843400      -1.331200    
 H    3.977800     -0.3113000     -0.4801000    
 H    4.920700      -1.737000     -7.1000000E-03
 H   0.5400000      -3.768700      0.9270000    
 H  -0.7796000      -2.597600      0.8543000    
 H  -0.6404000      -3.852000     -0.3912000    


%chk=000065833-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000065833

0 1
O 1.686759 0.755263 1.229003
N 1.581685 -1.263791 0.102368
N 1.442981 3.563943 0.383092
C 0.115534 0.629503 -0.650834
C 0.344227 2.053457 -1.225787
C 0.430556 0.833588 -2.147239
C 1.584758 2.885350 -0.918204
C -1.293656 0.282139 -0.206941
C 1.188209 0.054437 0.279673
C -1.688800 0.591034 1.123466
C -2.236698 -0.332760 -1.068413
C 2.638274 -1.796014 1.002116
C 0.998834 -2.205279 -0.880935
C -2.990355 0.289733 1.576179
C -3.544022 -0.629329 -0.617751
C -3.926112 -0.321088 0.707099
C 4.056790 -1.492945 0.475079
C 0.006913 -3.209060 -0.249639
H -0.572915 2.650708 -1.287173
H -0.360221 0.673867 -2.886599
H 1.430959 0.546636 -2.491676
H 1.680293 3.653740 -1.711278
H 2.487803 2.229554 -0.994330
H -0.967605 1.072528 1.793663
H -1.952856 -0.588344 -2.096113
H 2.100796 4.338330 0.519629
H 1.480329 2.870671 1.143267
H 2.504814 -1.331728 1.993848
H 2.484497 -2.885617 1.101942
H 0.491048 -1.624976 -1.665563
H 1.831271 -2.754593 -1.364618
H -3.278761 0.537453 2.604119
H -4.260220 -1.102371 -1.299511
H -4.938547 -0.550556 1.058016
H 4.215282 -1.922765 -0.531209
H 4.215341 -0.402529 0.422715
H 4.817789 -1.920420 1.153643
H 0.484401 -3.807164 0.547274
H -0.859417 -2.680505 0.182206
H -0.362657 -3.909101 -1.021786


