%chk=000093744.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000093744

0 1
 O    1.032200       1.886100       1.058100    
 O   -1.649600      -1.118200       1.119500    
 O   0.3025000      -1.482900      -1.535700    
 N  -0.2618000      0.4567000     -0.3504000    
 N   -3.706700     -0.7431000      0.1043000    
 C   -1.671200      0.3962000     -0.6936000    
 C   -2.164000       1.815000     -0.5030000    
 C   -1.295400       2.352600      0.6248000    
 C  -4.0000002E-03   1.580600      0.4857000    
 C   -2.332700     -0.5556000      0.2596000    
 C   0.6176000     -0.5415000     -0.8102000    
 C    2.020000     -0.4645000     -0.3761000    
 C   -4.473000      -1.638500      0.9614000    
 C   -4.477100     -5.5500001E-02 -0.9288000    
 C    2.419000      -1.104100      0.7949000    
 C    2.943300      0.2475000      -1.137900    
 C    3.749700      -1.031300       1.206800    
 C    4.274000      0.3201000     -0.7259000    
 C    4.677100     -0.3193000      0.4465000    
 H   -1.782000      3.0099999E-02  -1.719400    
 H   -3.214300       1.959800     -0.2522000    
 H   -1.960400       2.393700      -1.413400    
 H   -1.729200       2.135100       1.606000    
 H   -1.118600       3.426300      0.5245000    
 H   -3.837500      -2.083700       1.731200    
 H   -4.901900      -2.436000      0.3481000    
 H   -5.273400      -1.069100       1.442200    
 H   -5.066200      0.7363000     -0.4568000    
 H   -5.171300     -0.7761000      -1.375400    
 H   -3.882300      0.3507000      -1.745500    
 H    1.703600      -1.660800       1.394500    
 H    2.638900      0.7495000      -2.052400    
 H    4.063500      -1.528900       2.119800    
 H    4.996200      0.8748000      -1.317700    
 H    5.713200     -0.2624000      0.7673000    


%chk=000093744-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000093744

0 1
O 1.207009 2.410480 1.008835
O -2.519624 0.123068 1.845290
O -0.281292 -0.342672 -1.910047
N -0.461538 1.100790 -0.107521
N -3.301900 -0.967816 -0.063653
C -1.946770 1.150126 -0.288546
C -2.335771 2.561358 0.245052
C -1.216354 2.916332 1.245346
C 0.010812 2.156660 0.745711
C -2.605023 0.042858 0.573870
C 0.281781 0.179553 -0.895408
C 1.669919 -0.205159 -0.505309
C -4.018629 -1.957995 0.764557
C -3.385999 -1.152588 -1.529486
C 2.071372 -0.340996 0.848486
C 2.565637 -0.570672 -1.544527
C 3.358469 -0.827936 1.154588
C 3.860319 -1.033210 -1.235406
C 4.258946 -1.164184 0.116413
H -2.177588 1.038329 -1.356497
H -3.332600 2.554449 0.711839
H -2.345603 3.277643 -0.595720
H -1.457880 2.534763 2.253645
H -0.988014 3.991219 1.317409
H -3.934713 -1.657223 1.819446
H -3.574321 -2.963271 0.638093
H -5.084290 -2.000790 0.471509
H -3.574458 -2.220370 -1.734070
H -2.433900 -0.885889 -2.016109
H -4.218242 -0.568758 -1.969565
H 1.382105 -0.081021 1.656428
H 2.228655 -0.490986 -2.583159
H 3.661056 -0.939290 2.201093
H 4.553659 -1.297149 -2.041159
H 5.262972 -1.530053 0.359368


