%chk=000100138.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000100138

0 1
 O   0.1262000      -1.280000     -0.3142000    
 O    5.269500      -1.360000      0.9991000    
 O    6.080000     -0.2182000     -0.7848000    
 O   -6.322400     -0.5664000     -0.1745000    
 N  -0.9466000      0.7390000      0.2181000    
 N    4.172300       1.646900     -0.6836000    
 C    2.703600     -0.1973000      2.0400001E-02
 C    4.022700      0.5471000      0.2742000    
 C    1.451100      0.6588000      0.2249000    
 C   0.1461000     -9.8800004E-02  1.6400000E-02
 C    5.223700     -0.3613000      7.9000004E-02
 C   -2.318500      0.4065000      0.1176000    
 C   -3.271700       1.383400      0.3518000    
 C   -2.678400     -0.8897000     -0.2119000    
 C   -4.623800       1.054600      0.2541000    
 C   -4.030500      -1.218500     -0.3098000    
 C   -5.003300     -0.2462000     -7.6899998E-02
 H    2.648000      -1.065100      0.6910000    
 H    2.698600     -0.6172000     -0.9951000    
 H    4.064500      0.9541000       1.290200    
 H    1.448100       1.502200     -0.4752000    
 H    1.448500       1.066400       1.243100    
 H  -0.7541000       1.706000      0.4709000    
 H    3.460900       2.355800     -0.5135000    
 H    4.014300       1.307300      -1.631900    
 H   -2.987000       2.399500      0.6102000    
 H   -1.987900      -1.697500     -0.4034000    
 H   -5.376900       1.816400      0.4364000    
 H   -4.314400      -2.235400     -0.5679000    
 H    6.053600      -1.936200      0.8743000    
 H   -6.401900      -1.506300     -0.4117000    


%chk=000100138-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000100138

0 1
O 0.076451 -0.693781 -1.383962
O 4.940495 -0.797631 1.851049
O 5.872651 -0.972164 -0.269763
O -6.408638 -0.698512 0.195476
N -0.925829 0.725244 0.196531
N 4.507713 1.300455 -1.078799
C 2.622677 -0.077244 0.008461
C 4.024411 0.626407 0.125078
C 1.491384 0.946182 -0.237233
C 0.158953 0.242726 -0.532246
C 5.050960 -0.436276 0.504579
C -2.292283 0.313504 0.142353
C -3.216015 0.986131 0.988442
C -2.756973 -0.723769 -0.707461
C -4.577633 0.637148 0.992685
C -4.123933 -1.072005 -0.701619
C -5.035112 -0.396987 0.143876
H 2.417855 -0.639521 0.939316
H 2.637084 -0.796755 -0.830390
H 3.967683 1.346251 0.965644
H 1.738610 1.553456 -1.132076
H 1.408653 1.641085 0.622273
H -0.723472 1.477100 0.859262
H 3.887946 1.994960 -1.494783
H 4.995632 0.693851 -1.742330
H -2.869319 1.790644 1.650009
H -2.048059 -1.240095 -1.356633
H -5.293556 1.150355 1.640692
H -4.473287 -1.875949 -1.362627
H 5.590489 -1.524318 2.052873
H -6.631235 -1.430591 -0.431375


