%chk=000016403.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000016403

0 1
 O  -0.3540000      0.2141000      0.8442000    
 O   0.7107000      -2.245600      0.9877000    
 N   -3.764200      8.8100001E-02 -0.5488000    
 C   -2.588200     -0.3498000      0.2021000    
 C   -1.467400      0.6711000      8.7399997E-02
 C   0.8891000      0.5744000      0.3936000    
 C    1.822000     -0.3943000      3.7999999E-02
 C   -4.226800       1.387300     -6.2100001E-02
 C   -4.833000     -0.9050000     -0.4496000    
 C    1.202200       1.926600      0.2964000    
 C    3.081400     -6.8999999E-03 -0.4198000    
 C    1.508200      -1.813200      0.1332000    
 C    2.461500       2.313900     -0.1614000    
 C    3.401100       1.347200     -0.5194000    
 C    2.157400      -2.807800     -0.8214000    
 H   -2.225200      -1.309100     -0.1893000    
 H   -2.822300     -0.5234000       1.261300    
 H   -1.746800       1.640100      0.5111000    
 H   -1.195700      0.8101000     -0.9676000    
 H   -3.561400       2.199700     -0.3699000    
 H   -4.349800       1.409300       1.027000    
 H   -5.197200       1.637600     -0.5087000    
 H   -5.693900     -0.6078000      -1.059000    
 H   -5.173000      -1.045900      0.5828000    
 H   -4.496300      -1.873100     -0.8371000    
 H   0.4840000       2.690600      0.5804000    
 H    3.839000     -0.7361000     -0.6927000    
 H    2.711700       3.368100     -0.2364000    
 H    4.382900       1.649100     -0.8723000    
 H    3.100000      -3.161800     -0.3971000    
 H    2.326600      -2.352900      -1.801300    
 H    1.481100      -3.655700     -0.9664000    


%chk=000016403-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000016403

0 1
O -0.457298 -0.235834 -0.191698
O 0.685649 -2.608935 0.376038
N -4.097784 0.567521 -0.238076
C -2.858981 -0.244522 -0.186859
C -1.626320 0.659237 -0.327379
C 0.816147 0.303872 -0.301783
C 1.938716 -0.591510 -0.181078
C -4.436328 1.191839 1.057958
C -5.247100 -0.159286 -0.814496
C 1.033060 1.688889 -0.539133
C 3.240613 -0.031906 -0.318867
C 1.790443 -2.062656 0.089913
C 2.339713 2.200175 -0.659243
C 3.455177 1.339892 -0.550950
C 3.053860 -2.934348 0.023132
H -2.859656 -0.960339 -1.027343
H -2.767676 -0.844619 0.748905
H -1.596160 1.434077 0.464767
H -1.626493 1.153886 -1.317843
H -3.582952 1.779797 1.438541
H -4.714473 0.444353 1.843549
H -5.287227 1.883924 0.925586
H -6.103472 0.531118 -0.921673
H -5.583460 -1.028060 -0.194211
H -4.986397 -0.535653 -1.819165
H 0.182937 2.369643 -0.633530
H 4.108816 -0.691638 -0.234101
H 2.483689 3.271333 -0.840163
H 4.472387 1.732498 -0.645506
H 3.769043 -2.670594 0.825018
H 3.577651 -2.830587 -0.944532
H 2.747578 -3.982668 0.159119


