%chk=000178830.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000178830

0 1
 O    4.900600     -0.7964000     -1.6000000E-03
 N    1.985000       1.396700      3.1700000E-02
 N    4.111000      0.3213000      1.8000000E-03
 C   -1.468900     -4.4000000E-03 -3.0000001E-04
 C  -2.3200000E-02  5.5399999E-02 -6.0000003E-04
 C   0.7396000      -1.105000     -3.1700000E-02
 C   -2.167300     -2.0999999E-03  -1.207700    
 C   -2.164000     -6.4599998E-02   1.207500    
 C   0.6390000       1.270400      3.0099999E-02
 C    2.127100      -1.015900     -3.0999999E-02
 C    2.695900      0.2472000      8.9999998E-04
 C   -3.561000     -5.9900001E-02  -1.207300    
 C   -3.557700     -0.1225000       1.207800    
 C   -4.256200     -0.1201000      3.9999999E-04
 H   0.2695000      -2.085000     -5.6600001E-02
 H   -1.641000      4.4300001E-02  -2.158200    
 H   -1.635100     -6.7299999E-02   2.157700    
 H   9.9900000E-02   2.213200      5.5199999E-02
 H    2.713900      -1.927900     -5.6000002E-02
 H   -4.105000     -5.8100000E-02  -2.147300    
 H   -4.099200     -0.1694000       2.148100    
 H   -5.341300     -0.1652000      6.0000003E-04
 H    4.565800       1.224300      2.9899999E-02
 H    5.394400     -0.6905000     -0.8324000    


%chk=000178830-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000178830

0 1
O 5.010471 -0.387081 0.491099
N 2.038266 1.213488 -0.759203
N 4.168037 0.306703 -0.487811
C -1.494088 -0.020260 -0.044438
C -0.009122 0.018573 -0.102112
C 0.800898 -1.026443 0.431093
C -2.283331 0.566097 -1.073732
C -2.168639 -0.645969 1.041561
C 0.684673 1.117278 -0.680300
C 2.201913 -0.961330 0.355551
C 2.779837 0.177770 -0.266065
C -3.692815 0.533793 -1.015847
C -3.577854 -0.685554 1.096352
C -4.348875 -0.094105 0.068497
H 0.328452 -1.905591 0.882989
H -1.790586 1.024399 -1.938857
H -1.586422 -1.077101 1.864227
H 0.131463 1.981472 -1.065845
H 2.838834 -1.749016 0.763211
H -4.279266 0.987872 -1.822559
H -4.074792 -1.167608 1.945831
H -5.443208 -0.122124 0.111956
H 4.478488 1.282549 -0.596703
H 5.509468 -1.049312 -0.057896


