%chk=000000899.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000000899

0 1
 O    1.178000       1.202000     -8.7300003E-02
 O   0.3985000      -1.797100      -1.763400    
 O    1.722900      -2.367300      0.5992000    
 O  -0.4668000       2.354900      -1.311400    
 O    3.819600       1.310000      0.6976000    
 O   -3.635000     -0.6206000     -0.2143000    
 N   -1.635800      0.4100000      0.3854000    
 C  -0.1493000      -1.318200     -0.5313000    
 C  -0.8499000      2.2600001E-02 -0.7905000    
 C   0.9885000      -1.153800      0.4856000    
 C    1.925500     -8.2999999E-03  7.9700001E-02
 C   0.1949000       1.106300      -1.120100    
 C    2.988600      0.2534000       1.142100    
 C   -2.960600      4.9800001E-02  0.5629000    
 C   -3.519200      0.5563000       1.865600    
 H  -0.8531000      -2.081700     -0.1797000    
 H   -1.542900     -6.5899998E-02  -1.636300    
 H   0.5549000     -0.9325000       1.469000    
 H    2.436800     -0.2359000     -0.8652000    
 H   0.7044000      0.8772000      -2.063100    
 H    3.610000     -0.6270000       1.331500    
 H    2.531800      0.5724000       2.084400    
 H   -1.158500      0.9149000       1.127000    
 H  -0.3399000      -1.913300      -2.385300    
 H    1.095900      -3.066200      0.8523000    
 H   -1.207400       2.402300     -0.6838000    
 H    4.256000       1.018700     -0.1211000    
 H   -4.609100      0.4687000       1.857500    
 H   -3.115400     -3.7900001E-02   2.689800    
 H   -3.254700       1.607800       2.010500    


%chk=000000899-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000000899

0 1
O 1.019148 1.236016 -0.057249
O 0.443271 -1.902000 -1.696051
O 1.820565 -2.403763 0.553080
O -0.525878 2.279522 -1.524865
O 3.984102 1.271195 0.769211
O -3.637844 -0.602704 -0.160700
N -1.647921 0.439513 0.428592
C -0.175290 -1.374146 -0.456489
C -0.924921 -0.047838 -0.757315
C 1.015813 -1.182836 0.513166
C 1.887642 0.044186 0.115756
C 0.085192 1.036270 -1.199082
C 2.920397 0.361187 1.202506
C -2.981007 0.106644 0.659233
C -3.585498 0.655012 1.945764
H -0.884841 -2.115184 -0.040528
H -1.680463 -0.227490 -1.543401
H 0.631081 -1.040647 1.539137
H 2.392005 -0.180815 -0.851116
H 0.650368 0.720068 -2.093398
H 3.335531 -0.597593 1.575844
H 2.425048 0.891997 2.033104
H -1.092245 0.925528 1.139276
H -0.242149 -2.352002 -2.247579
H 1.850232 -2.738393 -0.385449
H -1.186191 2.513874 -0.820945
H 4.505602 0.838364 0.046650
H -4.471018 1.264184 1.695740
H -3.937383 -0.185969 2.567964
H -2.884647 1.269422 2.536445


