%chk=000160488.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000160488

0 1
 O    3.052000       1.750600     -0.3931000    
 O    2.182400       1.728600       1.721300    
 N    2.684900      -1.171800     -4.2399999E-02
 N   -2.237700       2.013200     -0.2960000    
 C    1.682300     -6.4099997E-02  0.2474000    
 C   0.7587000      3.9400000E-02 -0.9732000    
 C    3.583300      -1.372700       1.169600    
 C    1.939700      -2.464700     -0.3413000    
 C    3.534100     -0.7859000      -1.244900    
 C  -0.5968000      0.5968000     -0.6377000    
 C    2.370900       1.273000      0.5583000    
 C   -1.721400     -0.1567000     -0.2524000    
 C  -0.9217000       1.917700     -0.6613000    
 C   -2.751600      0.7620000     -4.0300000E-02
 C   -1.984000      -1.527200     -5.7900000E-02
 C   -4.036600      0.3768000      0.3581000    
 C   -3.264800      -1.927100      0.3406000    
 C   -4.273700     -0.9880000      0.5450000    
 H    1.114700     -0.3896000       1.130300    
 H    1.186400      0.7093000      -1.731800    
 H   0.5616000     -0.8910000      -1.505300    
 H    2.955200      -1.636100       2.025900    
 H    4.282600      -2.185200      0.9487000    
 H    4.142900     -0.4547000       1.368200    
 H    1.619900      -2.500000      -1.385200    
 H    2.638200      -3.295600     -0.1918000    
 H    1.106900      -2.571700      0.3586000    
 H    2.924400     -0.4517000      -2.084800    
 H    4.297100     -5.9400000E-02 -0.9580000    
 H    4.068800      -1.691100      -1.557700    
 H  -0.3511000       2.804300     -0.9002000    
 H   -2.757400       2.877000     -0.2239000    
 H   -1.213200      -2.274700     -0.2167000    
 H   -4.822800       1.107100      0.5173000    
 H   -3.473500      -2.983000      0.4908000    
 H   -5.261300      -1.320700      0.8541000    


%chk=000160488-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000160488

0 1
O 2.764803 1.801938 -0.453422
O 2.093011 1.543991 1.786252
N 2.857201 -1.212211 -0.052820
N -2.127401 2.053635 0.100411
C 1.625363 -0.242820 0.200827
C 0.666822 -0.179441 -1.010054
C 3.881143 -0.987323 1.059732
C 2.398041 -2.658489 -0.002704
C 3.522800 -0.913123 -1.395676
C -0.628919 0.478138 -0.592955
C 2.211486 1.190863 0.557719
C -1.902015 -0.175274 -0.343677
C -0.806858 1.832610 -0.307886
C -2.827832 0.842006 0.090802
C -2.360059 -1.516338 -0.447470
C -4.170400 0.552981 0.418470
C -3.698016 -1.811502 -0.120097
C -4.594094 -0.787537 0.309408
H 1.128566 -0.664641 1.093357
H 1.162664 0.416951 -1.796745
H 0.438770 -1.183072 -1.421966
H 3.363842 -1.004969 2.030204
H 4.645387 -1.779791 0.998119
H 4.334327 0.004041 0.920837
H 1.590178 -2.810383 -0.732782
H 3.247076 -3.318472 -0.246683
H 2.026769 -2.880277 1.009883
H 2.879083 -1.282487 -2.207690
H 3.621596 0.188069 -1.453832
H 4.497921 -1.426746 -1.422018
H -0.075071 2.637840 -0.343739
H -2.505405 2.953599 0.387308
H -1.686027 -2.314874 -0.781891
H -4.862958 1.335928 0.747681
H -4.063270 -2.841979 -0.196348
H -5.629121 -1.047739 0.557748


