%chk=000040356.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000040356

0 1
 O   -1.008600       1.153100      -1.140200    
 O  -0.9297000      0.9493000       1.260500    
 N    3.031900      0.4025000     -0.1471000    
 C  -0.5237000       1.719600      0.1023000    
 C    1.003500       1.750400      5.4800000E-02
 C    1.575100      0.3490000     -0.1236000    
 C   -1.088700       3.132600      0.2407000    
 C    3.598100     -0.9294000     -0.3069000    
 C   -1.690100      6.2700003E-02 -0.6910000    
 C   -1.645000     -5.3500000E-02  0.6795000    
 C    3.162400      -1.831100      0.8447000    
 C    5.118500     -0.8295000     -0.3796000    
 C   -2.363900     -0.8500000      -1.475500    
 C   -2.271200      -1.089500       1.341300    
 C   -3.007300      -1.908700     -0.8301000    
 C   -2.961200      -2.027700      0.5702000    
 H    1.395700       2.186100      0.9830000    
 H    1.334800       2.381000     -0.7805000    
 H    1.211300     -9.9299997E-02  -1.055000    
 H    1.226500     -0.2562000      0.7164000    
 H   -2.183900       3.105300      0.2761000    
 H  -0.7478000       3.608700       1.166000    
 H  -0.8091000       3.758900     -0.6129000    
 H    3.341700       1.004900     -0.9094000    
 H    3.253800      -1.371100      -1.251000    
 H    3.755700      -2.753100      0.8498000    
 H    3.307300      -1.349100       1.818400    
 H    2.117500      -2.145700      0.7588000    
 H    5.432800     -0.1974000      -1.217700    
 H    5.565600      -1.818500     -0.5270000    
 H    5.537400     -0.4053000      0.5401000    
 H   -2.396700     -0.7548000      -2.554800    
 H   -2.232800      -1.177600       2.421100    
 H   -3.548600      -2.648200      -1.413900    
 H   -3.467400      -2.858000       1.055200    


%chk=000040356-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000040356

0 1
O -1.023856 1.041231 -1.175925
O -0.955804 0.711378 1.207078
N 3.140343 0.306293 -0.124049
C -0.473376 1.631475 0.107054
C 1.054571 1.608246 0.057958
C 1.663907 0.199191 -0.066065
C -1.099277 3.008174 0.315844
C 3.883022 -0.983523 -0.192057
C -1.939675 0.038141 -0.787372
C -1.899275 -0.155765 0.612367
C 3.826751 -1.718023 1.165830
C 5.342422 -0.686571 -0.592764
C -2.777561 -0.716592 -1.612926
C -2.693759 -1.112687 1.249181
C -3.595960 -1.694151 -0.978638
C -3.555078 -1.887979 0.421623
H 1.447133 2.089807 0.972257
H 1.365385 2.235272 -0.801999
H 1.229400 -0.320133 -0.954034
H 1.383989 -0.386555 0.826324
H -2.199375 2.929342 0.317267
H -0.772149 3.428581 1.281996
H -0.794030 3.691346 -0.495191
H 3.425044 0.919775 -0.903062
H 3.438241 -1.659244 -0.967847
H 4.402472 -2.660870 1.118313
H 4.256037 -1.075572 1.955646
H 2.791584 -1.973523 1.454563
H 5.396501 -0.191315 -1.581896
H 5.930718 -1.619387 -0.650403
H 5.811475 -0.020126 0.154125
H -2.799065 -0.560749 -2.694824
H -2.651862 -1.255727 2.332215
H -4.268645 -2.303424 -1.591215
H -4.196347 -2.645935 0.883323


