%chk=000158949.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000158949

0 1
 O    2.491400       3.018100     -2.6600000E-02
 O   -2.543500      0.3930000       1.079100    
 O  -0.4005000       1.697700      -1.980900    
 O   -2.369400       2.523200       1.920600    
 O    3.883600      -1.120600       2.485000    
 O    2.764800      -1.322800      -2.741200    
 O   -2.198100      0.3891000      -2.577600    
 N  -0.4935000       1.261200       1.376100    
 N    2.344700      0.9851000       1.195900    
 N    4.122700      -3.433400      -1.720800    
 N   -2.276500       2.678400      -2.777300    
 C   0.3992000       2.236200      0.8178000    
 C   0.4686000       1.866600       2.242200    
 C    1.699000       1.849400      0.1809000    
 C    1.749500       1.133000       2.518900    
 C    1.705400      0.9749000      -1.114900    
 C    2.845200     -0.1523000      0.6087000    
 C    2.549700     -0.2097000     -0.6890000    
 C   -1.850700       1.493200       1.500400    
 C   0.3300000      0.5419000      -1.613500    
 C    3.607600      -1.199200       1.293000    
 C    3.002400      -1.313400      -1.537400    
 C    1.987700       3.799300      -1.098900    
 C    4.041000      -2.363700      0.4509000    
 C    3.765300      -2.423000     -0.8704000    
 C    4.797600      -3.420400       1.211600    
 C   -3.970400      0.4899000       1.149200    
 C   -1.670200       1.489300      -2.455300    
 C   -4.573300     -0.7917000      0.6538000    
 C   -4.874300     -0.9343000     -0.6961000    
 C   -4.825100      -1.825400       1.549100    
 C   -5.434600      -2.125800      -1.156800    
 C   -5.385300      -3.016900       1.088300    
 C   -5.689900      -3.167000     -0.2647000    
 H  -5.4600000E-02   3.171600      0.5337000    
 H   9.8499998E-02   2.511700       3.021600    
 H    1.547500      0.1700000       2.999000    
 H    2.406800       1.728900       3.159400    
 H    2.237300       1.461300      -1.938200    
 H  -0.2143000     -3.9099999E-02 -0.8610000    
 H   0.4406000     -9.3699999E-02  -2.500500    
 H    2.290300       4.835000     -0.9125000    
 H   0.9016000       3.796200      -1.207200    
 H    2.459500       3.509500      -2.041900    
 H    4.179600      -3.815000       2.025700    
 H    5.709500      -2.994800       1.644200    
 H    5.098900      -4.271300      0.5964000    
 H   -4.278300      0.6786000       2.185200    
 H   -4.313900       1.332300      0.5356000    
 H    3.865300      -3.378200      -2.698700    
 H    4.642000      -4.234800      -1.389800    
 H   -3.222100       2.707200      -3.143300    
 H   -1.797800       3.564600      -2.657100    
 H   -4.683700     -0.1286000      -1.399100    
 H   -4.589700      -1.720000       2.604500    
 H   -5.672600      -2.242400      -2.210100    
 H   -5.583700      -3.828000       1.782800    
 H   -6.126100      -4.094700     -0.6233000    


%chk=000158949-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000158949

0 1
O 2.409387 3.017534 -0.005604
O -2.479976 1.170550 0.605411
O -0.535514 2.068702 -2.147175
O -2.370718 0.771267 2.928853
O 3.474666 -1.260446 2.530906
O 2.077404 -1.579049 -2.815578
O -2.581154 1.057172 -2.751745
N -0.449077 1.192503 1.626450
N 2.188025 0.964863 1.140235
N 3.339970 -3.640982 -1.699151
N -2.191413 3.350446 -3.032808
C 0.260204 2.301454 0.937578
C 0.515082 1.986050 2.424947
C 1.507771 1.858849 0.158065
C 1.884692 1.308704 2.548172
C 1.397008 1.002054 -1.158843
C 2.495909 -0.241894 0.566660
C 2.112023 -0.287381 -0.771908
C -1.823150 1.040651 1.833250
C -0.018856 0.742641 -1.691476
C 3.179607 -1.378611 1.285198
C 2.391050 -1.434516 -1.574108
C 1.892208 4.101359 -0.858760
C 3.467914 -2.560057 0.489527
C 3.107167 -2.585062 -0.861984
C 4.157492 -3.735221 1.149061
C -3.922852 0.722000 0.576234
C -1.844392 2.069065 -2.655283
C -4.035156 -0.777806 0.418284
C -3.838996 -1.375988 -0.854537
C -4.338522 -1.594799 1.536869
C -3.952245 -2.775930 -1.001450
C -4.454378 -2.994879 1.385923
C -4.263718 -3.587312 0.115795
H -0.315887 3.169422 0.610006
H 0.138597 2.629214 3.225339
H 1.893277 0.399088 3.166331
H 2.627975 2.022902 2.945944
H 1.966567 1.529429 -1.948160
H -0.701340 0.340841 -0.925834
H 0.025325 0.056817 -2.554048
H 2.770283 4.720362 -1.099630
H 1.148042 4.722071 -0.321200
H 1.437590 3.710249 -1.788470
H 4.336183 -3.502673 2.211041
H 5.138174 -3.956974 0.681730
H 3.543432 -4.657087 1.102022
H -4.405451 1.077314 1.502799
H -4.307145 1.261187 -0.302950
H 3.009264 -3.533943 -2.664501
H 3.797799 -4.493466 -1.388160
H -3.106423 3.501689 -3.447617
H -1.526813 4.115720 -2.953740
H -3.580879 -0.742540 -1.711347
H -4.463248 -1.131443 2.522234
H -3.799200 -3.233633 -1.985361
H -4.688552 -3.620867 2.254295
H -4.354330 -4.673407 -0.002230


