%chk=000128530.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000128530

0 1
 O    2.034400       1.501200      0.2291000    
 O   -4.115600      0.3725000       1.397200    
 O   0.9126000       3.172100       1.373200    
 O   -3.426400      -1.653900      0.5152000    
 O    1.972000      -4.215900      -1.286900    
 O    1.016000      -2.699400      -2.561400    
 O    5.554100       1.355100      0.9294000    
 O    4.255300      5.8600001E-02 -0.4197000    
 N   -1.754500       1.758600      -1.931000    
 N    1.311500      -3.159800      -1.432700    
 C   -1.059800      0.6699000      0.5908000    
 C  -0.2196000       1.730700     -0.1294000    
 C   -2.389600      0.3826000     -0.1136000    
 C  -0.2700000     -0.5997000      0.7313000    
 C  -0.5852000       2.210800      -1.340000    
 C   -2.664700      0.9040000      -1.330400    
 C   0.1459000      -1.280300     -0.4067000    
 C   3.7999999E-02  -1.079900       1.998600    
 C   0.9581000       2.239800      0.5920000    
 C   0.1851000       3.221100      -2.146500    
 C   -3.913700      0.6448000      -2.128800    
 C   -3.360200     -0.4433000      0.6230000    
 C   0.8808000      -2.458600     -0.2756000    
 C   0.7728000      -2.258300       2.129600    
 C    1.194100      -2.947600      0.9925000    
 C    3.266800       1.877700      0.8522000    
 C   -5.113900     -0.2884000       2.181700    
 C    4.375700      0.9858000      0.3670000    
 H   -1.304400       1.078900       1.581900    
 H   -1.993800       2.133000      -2.842400    
 H  -0.1028000     -0.8899000      -1.390000    
 H  -0.2833000     -0.5532000       2.892700    
 H  -0.4273000       4.112600      -2.319300    
 H   0.4606000       2.797700      -3.118400    
 H    1.107800       3.544900      -1.656600    
 H   -3.657000      0.2091000      -3.100500    
 H   -4.601900     -4.4900000E-02  -1.632200    
 H   -4.452800       1.582300      -2.302300    
 H    1.017000      -2.638400       3.117200    
 H    1.765100      -3.861800       1.133700    
 H    3.174300       1.761200       1.937200    
 H    3.505900       2.911900      0.5828000    
 H   -5.650800      0.4700000       2.757700    
 H   -4.645100     -0.9912000       2.877200    
 H   -5.826100     -0.8050000       1.531000    
 H    6.296500      0.7886000      0.6290000    


%chk=000128530-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000128530

0 1
O 2.246150 2.369178 0.214289
O -3.295191 -0.022199 1.907891
O 1.141867 1.473163 2.051348
O -4.774300 0.216838 0.131108
O 0.172926 -5.352187 -1.325142
O -0.728082 -3.666491 -2.566143
O 5.399271 3.888691 1.163288
O 4.298775 3.812107 -0.888928
N -1.160204 1.232973 -2.151608
N -0.243241 -4.137026 -1.463334
C -1.011508 0.440587 0.553247
C 0.088561 1.289315 -0.117279
C -2.347649 0.551130 -0.188515
C -0.543772 -1.025483 0.673871
C 0.018628 1.576123 -1.472503
C -2.368716 0.866515 -1.534482
C -0.624598 -1.906473 -0.427934
C 0.004642 -1.505601 1.891939
C 1.154642 1.691900 0.806509
C 1.044441 2.234419 -2.369989
C -3.561019 0.898544 -2.462586
C -3.585877 0.249469 0.557208
C -0.157337 -3.229989 -0.292518
C 0.462165 -2.838370 2.009763
C 0.387290 -3.721505 0.913999
C 3.305415 2.773268 1.139973
C -4.467065 -0.337785 2.753158
C 4.338847 3.529305 0.322612
H -1.141890 0.816016 1.580687
H -1.191002 1.425224 -3.154630
H -1.048907 -1.591420 -1.384657
H 0.077985 -0.818961 2.741122
H 0.578547 3.046562 -2.960507
H 1.447595 1.489312 -3.084502
H 1.885562 2.646209 -1.801535
H -3.379529 0.247774 -3.340339
H -4.464807 0.555728 -1.942810
H -3.738409 1.926004 -2.835007
H 0.877715 -3.189183 2.960084
H 0.731040 -4.757338 0.971805
H 3.768048 1.893711 1.623584
H 2.908363 3.417988 1.945536
H -4.050828 -0.504292 3.756770
H -4.976782 -1.241256 2.378351
H -5.180633 0.503490 2.751180
H 6.084767 4.390015 0.644422


