%chk=000083314.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000083314

0 1
 O  -0.4498000       2.142500      -1.207900    
 N   -1.554100      0.5545000      0.1058000    
 C   -3.621900      -1.447700      0.3278000    
 C   -3.754900     -0.2647000     -0.6316000    
 C   -2.153200      -1.780400      0.5919000    
 C   -2.951500      0.9358000     -0.1388000    
 C   -1.378500     -0.5479000       1.051800    
 C  -0.4319000       1.180600     -0.4414000    
 C   0.8945000      0.6692000     -7.3899999E-02
 C    1.488100     -0.3320000     -0.8384000    
 C    1.552600       1.189000       1.037700    
 C    2.748500     -0.8166000     -0.4888000    
 C    2.812900      0.7043000       1.387300    
 C    3.410800     -0.2986000      0.6241000    
 C    3.388400      -1.888100      -1.305600    
 H   -4.117500      -1.205900       1.275900    
 H   -4.132500      -2.323300     -8.8200003E-02
 H   -3.391200     -0.5646000      -1.622400    
 H   -4.809300      1.0900000E-02 -0.7417000    
 H   -2.082900      -2.569400       1.348700    
 H   -1.701900      -2.171200     -0.3287000    
 H   -2.982700       1.743700     -0.8769000    
 H   -3.360300       1.321800      0.8019000    
 H   -1.769400     -0.2019000       2.017100    
 H  -0.3440000     -0.8406000       1.228400    
 H   0.9703000     -0.7334000      -1.706400    
 H    1.095200       1.970400       1.638900    
 H    3.328800       1.107900       2.253600    
 H    4.393900     -0.6664000      0.9058000    
 H    2.636600      -2.565200      -1.725100    
 H    3.959200      -1.443800      -2.127000    
 H    4.065600      -2.498400     -0.6985000    


%chk=000083314-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000083314

0 1
O -0.568436 1.101978 -1.854742
N -1.563955 0.412631 0.139722
C -4.014176 -1.134882 0.606777
C -3.880416 -0.180935 -0.603956
C -2.624837 -1.667878 1.027492
C -2.874670 0.950925 -0.298894
C -1.633277 -0.507943 1.298654
C -0.455791 0.592877 -0.689527
C 0.910424 0.216771 -0.165123
C 1.813779 -0.414314 -1.055017
C 1.354147 0.587455 1.130546
C 3.142512 -0.714861 -0.669060
C 2.680621 0.307657 1.523466
C 3.562930 -0.349950 0.636879
C 4.103798 -1.376174 -1.641899
H -4.469269 -0.585527 1.457648
H -4.692803 -1.975251 0.368065
H -3.531154 -0.743345 -1.491372
H -4.860957 0.263718 -0.860514
H -2.703267 -2.290358 1.939822
H -2.213644 -2.309820 0.223555
H -2.692458 1.571656 -1.190448
H -3.272542 1.594491 0.513789
H -1.969105 0.060191 2.192347
H -0.630192 -0.908082 1.508406
H 1.466218 -0.649825 -2.067555
H 0.678841 1.117720 1.811609
H 3.028038 0.604660 2.519397
H 4.589416 -0.571068 0.954473
H 3.581335 -2.081445 -2.311850
H 4.597188 -0.620674 -2.283769
H 4.899600 -1.929895 -1.113520


