%chk=000068415.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000068415

0 1
 O   -1.173600     -0.2753000       2.094500    
 O  -0.3390000     -0.1453000      -2.524700    
 O    1.985000      -3.013000      0.2015000    
 N   0.4727000      -1.571700       1.161000    
 N   0.8901000      -1.506400      -1.146300    
 C   0.5830000       1.433000      7.3399998E-02
 C  -0.4345000      0.2985000     -0.1426000    
 C    2.005700      0.8694000      0.3234000    
 C   -1.826400      0.9031000     -0.3771000    
 C   0.6260000       2.300300      -1.199800    
 C   0.1199000       2.311500       1.247400    
 C  -0.4499000     -0.5366000       1.133900    
 C   5.9000002E-03 -0.4655000      -1.387400    
 C    3.108500       1.906000      0.5001000    
 C   -2.864200     -0.1675000     -0.4446000    
 C    1.184900      -2.083500      8.2999997E-02
 C   -3.894100     -0.2570000      0.4044000    
 H    2.037300      0.2734000       1.239200    
 H    2.351600      0.2552000     -0.5102000    
 H   -1.904100       1.445700      -1.324500    
 H   -2.138600       1.595700      0.4070000    
 H    1.097500       1.796900      -2.049500    
 H    1.225200       3.202500      -1.022800    
 H  -0.3452000       2.686800      -1.515300    
 H   7.7399999E-02   1.779500       2.200800    
 H   0.8322000       3.130300       1.407000    
 H  -0.8254000       2.831900       1.081100    
 H    2.929800       2.556500       1.360100    
 H    4.063200       1.397800      0.6780000    
 H    3.239900       2.526000     -0.3907000    
 H   0.5825000      -2.059000       2.045900    
 H    1.307500      -1.945500      -1.962100    
 H   -2.792900     -0.9027000      -1.241900    
 H   -4.623700      -1.052400      0.2983000    
 H   -4.030300      0.4509000       1.214300    


%chk=000068415-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000068415

0 1
O -0.830864 -0.132564 2.299674
O -0.388530 -0.027996 -2.514585
O 1.449181 -3.452534 0.004503
N 0.337414 -1.724275 1.120474
N 0.627539 -1.633319 -1.214903
C 0.659638 1.608372 0.070769
C -0.409947 0.368806 -0.080414
C 2.050043 1.021239 0.499891
C -1.886942 0.894217 -0.204636
C 0.800317 2.370317 -1.274506
C 0.145374 2.598148 1.150641
C -0.337285 -0.490378 1.197539
C -0.076803 -0.420664 -1.359763
C 3.223538 2.026775 0.515762
C -2.885412 -0.203274 -0.523672
C 0.857701 -2.345054 -0.025239
C -3.794921 -0.687595 0.358884
H 1.957809 0.581204 1.512376
H 2.325203 0.195213 -0.186402
H -1.912078 1.656368 -1.003459
H -2.154117 1.369233 0.752167
H 1.356446 1.793591 -2.033070
H 1.344945 3.313572 -1.093629
H -0.179196 2.628243 -1.710419
H -0.105684 2.089071 2.095644
H 0.928889 3.349096 1.354901
H -0.745983 3.148139 0.802530
H 3.037078 2.876250 1.196953
H 4.142499 1.521598 0.865017
H 3.430458 2.433092 -0.489451
H 0.423611 -2.255720 1.993241
H 0.905277 -2.110617 -2.079153
H -2.855081 -0.603566 -1.547588
H -4.502807 -1.475645 0.077505
H -3.853410 -0.309844 1.387216


