%chk=000107842.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000107842

0 1
 O  -0.7933000       1.964700       1.928300    
 N   0.3989000       1.244600     -0.6055000    
 C  -0.9317000      0.6335000     -0.8563000    
 C   -1.628800      0.1974000      0.4878000    
 C   -1.799200       1.725000      -1.547000    
 C  -0.7441000     -0.5389000      -1.858000    
 C   -1.989100       1.398000       1.393600    
 C    1.424700      0.3076000     -0.1285000    
 C   -2.112800       2.915700     -0.6394000    
 C   0.2875000      -1.559600      -1.386500    
 C   -2.785700       2.479200      0.6581000    
 C    1.612400     -0.8663000      -1.095100    
 C   -2.865000     -0.6402000      0.2822000    
 C    2.739500       1.070000      4.4199999E-02
 C   -2.995500      -1.894500      0.7343000    
 C    3.819900      0.1709000      0.5607000    
 C    4.962300     -6.5200001E-02 -9.8800004E-02
 C   -4.180600      -2.647100      0.5159000    
 C    5.957400     -0.9360000      0.4208000    
 C   -5.178900      -3.288600      0.3339000    
 C    6.802000      -1.670300      0.8553000    
 H  -0.9186000     -0.4169000       1.055000    
 H   -2.742700       1.286700      -1.897000    
 H   -1.292200       2.097200      -2.447500    
 H  -0.4099000     -0.1396000      -2.826400    
 H   -1.694100      -1.045300      -2.062800    
 H   -2.572700       1.051400       2.255800    
 H   0.3114000       2.008300      6.3400000E-02
 H    1.138000     -8.4899999E-02  0.8543000    
 H   -2.777000       3.606600      -1.172300    
 H   -1.201700       3.482900     -0.4175000    
 H   0.4322000      -2.323400      -2.159000    
 H  -6.8099998E-02  -2.078800     -0.4898000    
 H   -2.903100       3.359300       1.301600    
 H   -3.794200       2.112100      0.4344000    
 H    2.302300      -1.612300     -0.6845000    
 H    2.047400     -0.5134000      -2.039700    
 H   -3.689200     -0.1901000     -0.2670000    
 H    3.039700       1.533900     -0.9048000    
 H    2.606100       1.888500      0.7634000    
 H   -1.050500       2.698600       2.511900    
 H   -2.190000      -2.369900       1.284500    
 H    3.645900     -0.2978000       1.527200    
 H    5.149200      0.3996000      -1.061400    
 H   -6.064500      -3.857600      0.1723000    
 H    7.551200      -2.321600       1.240800    


%chk=000107842-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000107842

0 1
O -0.719265 1.963778 1.898802
N 0.411727 1.196072 -0.635412
C -0.964652 0.670753 -0.882591
C -1.663541 0.209578 0.479814
C -1.803422 1.803126 -1.543708
C -0.859706 -0.503889 -1.893209
C -2.013717 1.421612 1.396890
C 1.446392 0.212445 -0.216422
C -2.107903 2.996556 -0.610452
C 0.173942 -1.575661 -1.485583
C -2.818046 2.523857 0.677111
C 1.552525 -0.918966 -1.257878
C -2.907007 -0.620068 0.261508
C 2.785722 0.980347 -0.038578
C -3.076466 -1.886747 0.751474
C 3.873517 0.142811 0.586244
C 5.097159 -0.088449 0.020968
C -4.246381 -2.687954 0.556633
C 6.137959 -0.872063 0.617163
C -5.237375 -3.416530 0.417611
C 7.068649 -1.537687 1.089542
H -0.937074 -0.401672 1.050179
H -2.760134 1.372503 -1.904991
H -1.245880 2.150258 -2.432907
H -0.554948 -0.071622 -2.867403
H -1.857502 -0.960353 -2.033478
H -2.593166 1.041992 2.264745
H 0.364150 1.950303 0.067512
H 1.199097 -0.254983 0.772007
H -2.741726 3.732535 -1.140598
H -1.169162 3.522163 -0.348712
H 0.241138 -2.350661 -2.272696
H -0.153376 -2.094255 -0.561621
H -2.985586 3.373300 1.370162
H -3.820871 2.123109 0.426837
H 2.296832 -1.664171 -0.919831
H 1.918065 -0.487060 -2.211625
H -3.725063 -0.176390 -0.323489
H 3.102892 1.379917 -1.020062
H 2.585395 1.853798 0.619879
H -0.915695 2.671612 2.563301
H -2.264743 -2.341319 1.339799
H 3.654225 -0.302609 1.568274
H 5.318419 0.352438 -0.962409
H -6.100700 -4.043255 0.289935
H 7.870102 -2.115100 1.512165


