%chk=000105393.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000105393

0 1
 O    1.009800      -2.229800     -0.8403000    
 O   -1.034000       1.669300      -2.561800    
 O   -3.460800      -1.932700       1.605500    
 O   -3.368400       2.302400      -1.651100    
 O    5.924500     -0.1352000      0.5163000    
 O    8.088700       1.416200      0.1108000    
 N   -1.122700      -2.750600      0.8246000    
 C   -2.244400     -0.7251000     -3.3199999E-02
 C   -2.223400      0.3833000     -0.8823000    
 C   -4.542700     -3.1599998E-02  0.8153000    
 C   -4.521700       1.076600     -3.4100000E-02
 C   -3.404800     -0.9731000      0.8467000    
 C   -1.159500      -1.609800     -1.2900000E-02
 C   -3.361600       1.324300     -0.9142000    
 C   -1.117300      0.6073000      -1.710900    
 C  -5.9300002E-02  -1.383000     -0.8405000    
 C  -3.8300000E-02 -0.2769000      -1.687600    
 C   -5.648400     -0.2552000       1.644400    
 C   -5.606600       1.961400     -5.4200001E-02
 C   -6.727400      0.6289000       1.621000    
 C   -6.706400       1.735000      0.7736000    
 C    2.243400      -1.704100     -0.4998000    
 C    2.340200     -0.8657000      0.5967000    
 C    3.350100      -2.029700      -1.264100    
 C    4.710700     -0.6528000      0.1813000    
 C    3.584000     -0.3357000      0.9400000    
 C    4.593800      -1.499800     -0.9206000    
 C    5.932600       1.143400       1.149400    
 C    7.211400       1.888800      0.8321000    
 C    7.358300       3.254000       1.450100    
 H   0.8150000     -0.1085000      -2.340800    
 H   -5.691600      -1.109200       2.315000    
 H   -5.616200       2.831500     -0.7053000    
 H   -7.585000      0.4549000       2.264400    
 H   -7.547800       2.421800      0.7575000    
 H   -1.887500      -2.964500       1.448000    
 H  -0.3125000      -3.356500      0.8055000    
 H  -0.1882000       1.639200      -3.040700    
 H    1.483300     -0.6232000       1.217800    
 H    3.260400      -2.688500      -2.122600    
 H    3.637900      0.2947000       1.822600    
 H    5.467900      -1.750000      -1.515600    
 H    5.113900       1.778500      0.7886000    
 H    5.873500       1.007700       2.234300    
 H    8.318000       3.689700       1.158400    
 H    6.553600       3.904200       1.098300    
 H    7.326000       3.168500       2.539100    


%chk=000105393-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000105393

0 1
O 0.923566 -1.613178 0.370804
O -1.271463 2.248056 -1.718112
O -3.981258 -2.287924 1.420887
O -3.892135 2.456016 -1.430114
O 6.263566 0.092872 -0.168084
O 8.816009 0.853839 -0.767092
N -1.412599 -2.533921 1.246677
C -2.649156 -0.636638 0.250296
C -2.611864 0.602059 -0.506495
C -5.177356 -0.443646 0.458985
C -5.149455 0.773476 -0.274099
C -3.923357 -1.184112 0.745985
C -1.441349 -1.360817 0.537816
C -3.865109 1.355656 -0.787131
C -1.352964 1.071612 -0.969496
C -0.197585 -0.820312 0.055789
C -0.152975 0.357671 -0.681244
C -6.413594 -0.960065 0.926978
C -6.361384 1.462399 -0.531303
C -7.611969 -0.270170 0.666906
C -7.585433 0.946340 -0.065156
C 2.243236 -1.087831 0.217207
C 2.673390 0.024649 0.966418
C 3.132173 -1.788614 -0.626472
C 4.912182 -0.238637 0.015451
C 4.014539 0.458176 0.864555
C 4.469418 -1.363731 -0.725073
C 6.787111 1.233331 0.561155
C 8.257899 1.458879 0.174717
C 8.981695 2.479967 1.046927
H 0.810609 0.732028 -1.046870
H -6.399660 -1.898806 1.488870
H -6.307278 2.396759 -1.098619
H -8.565325 -0.670430 1.028675
H -8.518920 1.482851 -0.267457
H -2.326401 -2.888216 1.574432
H -0.518148 -2.992575 1.408795
H -0.329798 2.418884 -1.980933
H 1.975245 0.541407 1.632722
H 2.772658 -2.655879 -1.187519
H 4.339447 1.318830 1.456181
H 5.186449 -1.882518 -1.367317
H 6.221993 2.161248 0.317994
H 6.721017 1.076768 1.660137
H 9.778353 2.970611 0.465813
H 8.297589 3.239968 1.465229
H 9.458893 1.954071 1.896881


