%chk=000100052.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000100052

0 1
 I   -2.355000       3.262600      0.4854000    
 O    3.669100      -1.220600      0.8001000    
 O    4.318800       1.930500     -0.3459000    
 O   -1.642200      -2.766100     -0.4374000    
 O   -4.450200      0.8480000     -5.2000001E-02
 N  -0.6816000     -0.6782000     -3.0600000E-02
 N   -3.025500     -0.9478000     -0.2403000    
 C    2.383300      0.5303000     -0.3286000    
 C   0.6764000      -1.163300     -1.2600000E-02
 C    1.535600     -0.4911000      -1.090900    
 C    2.692700     -0.2012000      0.9790000    
 C    1.360300     -0.8595000       1.332500    
 C    3.601400      0.9827000      -1.118200    
 C   -1.764600      -1.553900     -0.2491000    
 C  -0.9010000      0.6780000      0.1725000    
 C   -2.109900       1.252400      0.1793000    
 C   -3.307800      0.3972000     -4.3200001E-02
 H    1.812500       1.431500     -9.4700001E-02
 H   0.6792000      -2.245400     -0.1869000    
 H   0.9557000     -2.7500000E-02  -1.896300    
 H    2.185200      -1.244900      -1.554800    
 H    3.041400      0.4776000       1.763300    
 H   0.7717000     -0.1916000       1.970900    
 H    1.503500      -1.788200       1.897300    
 H    3.307200       1.454000      -2.061700    
 H    4.273000      0.1513000      -1.353200    
 H    3.795700      -1.658400       1.659000    
 H  -4.1700002E-02   1.297500      0.3637000    
 H    3.733000       2.691000     -0.1908000    
 H   -3.821500      -1.560200     -0.3958000    


%chk=000100052-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000100052

0 1
I -3.054071 3.205485 0.309744
O 3.504624 -1.485262 0.536022
O 4.872804 1.655168 -0.295359
O -1.437651 -2.821885 -0.249408
O -4.836432 0.377826 -0.026389
N -0.801319 -0.557417 -0.028326
N -3.085557 -1.163513 -0.138314
C 2.609981 0.608590 -0.274249
C 0.648782 -0.913073 -0.020801
C 1.498014 -0.126011 -1.079439
C 2.779997 -0.279349 0.982487
C 1.326267 -0.634993 1.357637
C 3.909497 0.842840 -1.059256
C -1.753177 -1.606435 -0.147181
C -1.201332 0.767146 0.099567
C -2.519478 1.161962 0.108978
C -3.595221 0.167158 -0.018624
H 2.225231 1.591257 0.077260
H 0.672272 -1.991356 -0.238565
H 0.879236 0.564502 -1.679376
H 1.958412 -0.846127 -1.777538
H 3.334965 0.230863 1.792593
H 0.850970 0.230664 1.859285
H 1.251868 -1.499700 2.039406
H 3.687946 1.310047 -2.042647
H 4.420569 -0.118678 -1.220213
H 3.700157 -2.058674 1.317706
H -0.392041 1.495533 0.191195
H 4.530629 2.582640 -0.229443
H -3.791241 -1.902508 -0.226753


