%chk=000156781.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000156781

0 1
 O   -1.162500       1.674600      0.4947000    
 O   0.2944000      -1.303300      0.2936000    
 O    3.872200      -1.269500      0.3593000    
 O    1.812000      -1.253100       2.026200    
 O   0.1087000       2.088300      -1.394100    
 N   -3.838800     -0.3822000     -0.9367000    
 C   -2.381900     -0.1756000     -0.6131000    
 C   -2.299700       1.318100     -0.2880000    
 C   -3.586400       1.565500      0.4698000    
 C   -4.585700      0.7419000     -0.3246000    
 C   -2.079600      -1.178200      0.4774000    
 C   -4.201100      -1.681500     -0.3270000    
 C   -3.107400      -2.020000      0.6211000    
 C  -0.7940000      -1.262100       1.228500    
 C    2.447600     -0.1332000      -1.273400    
 C    2.601100      -1.327800     -0.2825000    
 C    2.924000       1.244100     -0.7224000    
 C  -2.1800000E-02   1.968100     -0.1877000    
 C    1.552100      -1.283200      0.8295000    
 C    2.346100       1.751300      0.5831000    
 C    3.202000     -0.3718000      -2.596300    
 C    2.484400      -2.709400     -0.9434000    
 C    1.061000       2.077000      0.8127000    
 C    3.353400       1.922100       1.693500    
 H   -1.766800     -0.4101000      -1.490200    
 H   -2.327900       1.910100      -1.214300    
 H   -3.846600       2.628100      0.5016000    
 H   -3.508700       1.214600       1.506000    
 H   -5.439800      0.4446000      0.2932000    
 H   -4.986600       1.351300      -1.143600    
 H   -4.247100      -2.444300      -1.112700    
 H   -5.175000      -1.669700      0.1730000    
 H   -3.137500      -2.855700       1.305000    
 H  -0.6868000     -0.3992000       1.893800    
 H  -0.7608000      -2.172200       1.839200    
 H    1.391200     -5.0799999E-02  -1.550600    
 H    2.742000       2.014900      -1.484300    
 H    4.018900       1.213500     -0.6303000    
 H    2.789100      -1.225300      -3.142900    
 H    3.115600      0.4974000      -3.257700    
 H    4.266600     -0.5571000      -2.418400    
 H    1.579900      -2.792200      -1.555200    
 H    3.357700      -2.928300      -1.567600    
 H    2.447100      -3.504000     -0.1878000    
 H   0.7561000       2.415400       1.800200    
 H    3.976900      -2.066500      0.9067000    
 H    2.898700       2.295200       2.617400    
 H    4.126900       2.637400       1.394600    
 H    3.834100      0.9675000       1.927000    


%chk=000156781-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000156781

0 1
O -1.251995 1.672506 0.529438
O 0.305925 -1.213249 0.238248
O 3.984173 -1.276235 0.260574
O 1.876131 -1.451092 1.944117
O 0.085753 1.836150 -1.388213
N -3.960256 -0.481345 -0.809576
C -2.484880 -0.233721 -0.585946
C -2.392814 1.311391 -0.334238
C -3.725982 1.668455 0.330904
C -4.704145 0.783913 -0.488259
C -2.111304 -1.181707 0.567668
C -4.352667 -1.702028 -0.041106
C -3.153005 -2.010787 0.838855
C -0.790196 -1.217778 1.276872
C 2.556280 -0.096019 -1.359994
C 2.665301 -1.317186 -0.391846
C 2.982951 1.267514 -0.714817
C -0.004648 1.824894 -0.133691
C 1.594351 -1.297551 0.726133
C 2.393758 1.669242 0.633071
C 3.428491 -0.293336 -2.624158
C 2.502443 -2.677194 -1.125671
C 1.065589 1.925463 0.867928
C 3.387957 1.793676 1.767183
H -1.880476 -0.488590 -1.476968
H -2.270933 1.823232 -1.306226
H -3.956740 2.744555 0.267027
H -3.709215 1.367866 1.394224
H -5.635105 0.557621 0.062439
H -4.989226 1.300600 -1.425525
H -4.565518 -2.555590 -0.719702
H -5.279273 -1.523411 0.542579
H -3.138751 -2.833842 1.560556
H -0.629380 -0.325765 1.907419
H -0.676750 -2.122719 1.898686
H 1.499534 -0.023104 -1.670160
H 2.709507 2.040626 -1.458351
H 4.083273 1.254304 -0.619164
H 3.063870 -1.119511 -3.258337
H 3.407542 0.624872 -3.238923
H 4.478475 -0.499845 -2.348119
H 1.584300 -2.696126 -1.737696
H 3.379558 -2.842778 -1.770475
H 2.456748 -3.505993 -0.395897
H 0.731676 2.168933 1.882503
H 3.860904 -1.603751 1.194330
H 2.911116 2.048648 2.728022
H 4.137892 2.573831 1.527700
H 3.947055 0.846660 1.878879


