%chk=000093385.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000093385

0 1
 O    1.774800      -1.837800      0.8121000    
 O   -6.048400     -5.0200000E-02 -0.9581000    
 O   -3.770500       1.459200       1.363900    
 N   -3.488200     -0.3418000     -9.2600003E-02
 N   -5.507100      0.8003000      2.6400000E-02
 C    3.971800      -2.095700     -0.1567000    
 C    4.250400     -0.6125000     -0.1920000    
 C    2.485300      -2.409500     -0.2854000    
 C    4.261200      0.1050000      0.9936000    
 C    4.491000      4.6000001E-03  -1.409300    
 C    4.762800       2.110600     -0.2566000    
 C    4.518900       1.475500      0.9611000    
 C    4.749000       1.375100      -1.441700    
 C   0.4832000      -1.470800      0.5900000    
 C   -2.146000     -0.7230000      0.1374000    
 C  -0.2862000      -2.159500     -0.3476000    
 C  -7.1000002E-02 -0.4056000       1.299800    
 C   -1.609800      -1.782900     -0.5756000    
 C   -1.394700     -2.9200001E-02   1.072100    
 C    5.038400       3.575700     -0.2915000    
 C   -4.206400      0.6954000      0.5018000    
 C   -6.453800       1.797800      0.4905000    
 C   -5.804600      0.5192000      -2.241800    
 H    4.529200      -2.597800     -0.9570000    
 H    4.354900      -2.505300      0.7869000    
 H    2.135500      -2.011900      -1.247500    
 H    2.341700      -3.496000     -0.2717000    
 H    4.072500     -0.3792000       1.947400    
 H    4.479800     -0.5595000      -2.337400    
 H    4.524900       2.037900       1.891000    
 H    4.935300       1.858900      -2.396900    
 H   9.7199999E-02  -3.012100     -0.9005000    
 H   0.5253000      0.1339000       2.030800    
 H   -2.202800      -2.329500      -1.303700    
 H   -1.748400      0.8028000       1.662300    
 H    5.533900       3.906700      0.6276000    
 H    5.702500       3.833200      -1.123600    
 H    4.102200       4.131300     -0.4049000    
 H   -3.989900     -0.8991000     -0.7794000    
 H   -6.043500       2.374800       1.322800    
 H   -6.691400       2.479100     -0.3305000    
 H   -7.366500       1.290500      0.8155000    
 H   -6.432000       1.402200      -2.394400    
 H   -4.750100      0.7796000      -2.376800    
 H   -6.073200     -0.2247000      -2.997100    


%chk=000093385-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000093385

0 1
O 1.600978 -1.057592 0.605403
O -6.373659 -0.248363 -1.135643
O -4.622354 0.905702 1.809338
N -3.951708 -0.227867 -0.166170
N -6.151677 0.576941 0.073721
C 3.843976 -1.853871 0.107436
C 4.605759 -0.545054 -0.060181
C 2.386622 -1.816733 -0.383738
C 4.253723 0.615640 0.679289
C 5.689693 -0.452208 -0.967425
C 6.048545 1.919095 -0.402110
C 4.962088 1.822750 0.508133
C 6.399629 0.759756 -1.136033
C 0.226812 -0.887672 0.353828
C -2.560722 -0.427115 0.052834
C -0.452486 -1.388110 -0.783824
C -0.493031 -0.162394 1.334241
C -1.837002 -1.154172 -0.925180
C -1.872207 0.069568 1.195045
C 6.804547 3.225634 -0.577743
C -4.856123 0.422577 0.660094
C -7.339176 0.629747 0.941815
C -6.720937 0.644483 -2.266782
H 4.362931 -2.654866 -0.453434
H 3.825557 -2.165133 1.169859
H 2.315221 -1.327812 -1.376741
H 1.978272 -2.846871 -0.455651
H 3.413242 0.565230 1.379146
H 5.987091 -1.336087 -1.546543
H 4.669705 2.706223 1.090113
H 7.237050 0.802884 -1.843415
H 0.073143 -1.952937 -1.558746
H 0.047001 0.213011 2.209126
H -2.356805 -1.544728 -1.809428
H -2.427430 0.622100 1.955385
H 7.229921 3.577137 0.381126
H 7.636141 3.118001 -1.295562
H 6.139757 4.027802 -0.950627
H -4.369722 -0.641050 -1.006220
H -7.038811 1.145456 1.867116
H -8.141174 1.204707 0.449277
H -7.708080 -0.384679 1.188872
H -7.670858 1.172812 -2.068599
H -5.914994 1.376887 -2.450642
H -6.841248 -0.033130 -3.128057


