%chk=000097137.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000097137

0 1
 O   -3.091800       2.351600     -0.7395000    
 O   -3.843300      -2.253400     -0.2147000    
 N  -0.3791000       1.815700      0.3836000    
 N   0.3043000     -0.2148000       1.000600    
 N   -1.774700      -1.396900      0.4201000    
 N   -3.495000      4.6799999E-02 -0.4870000    
 C    3.296200      0.2785000     -0.3555000    
 C    4.335900      0.2726000      -1.471900    
 C    3.964100     -0.5780000      0.7155000    
 C    4.866800      -1.157600      -1.477000    
 C    4.616700      -1.709200     -7.2400004E-02
 C    2.944200       1.674600      0.1275000    
 C    1.926000       1.661400       1.286300    
 C   0.6370000       1.056000      0.9033000    
 C   -1.422100      0.9700000      0.1362000    
 C  -0.9777000     -0.2651000      0.5226000    
 C   -2.717700       1.232400     -0.4011000    
 C   -3.088500      -1.281000     -9.9299997E-02
 C   -1.256500      -2.691100      0.8457000    
 C   -4.844700      0.1872000      -1.023000    
 H    2.401100     -0.2362000     -0.7277000    
 H    5.153800      0.9687000      -1.248400    
 H    3.910700      0.5554000      -2.439900    
 H    3.256300     -0.9664000       1.453900    
 H    4.733900     -8.2999999E-03   1.250700    
 H    5.928400      -1.186400      -1.742600    
 H    4.327600      -1.763000      -2.214700    
 H    3.943300      -2.572400     -0.1284000    
 H    5.542500      -2.045700      0.4048000    
 H    2.538600       2.256600     -0.7100000    
 H    3.847200       2.198400      0.4653000    
 H    1.766400       2.695300       1.618000    
 H    2.340400       1.131400       2.151200    
 H  -0.3592000       2.813000      0.2145000    
 H   -1.993300      -3.485500      0.7023000    
 H  -0.9964000      -2.638100       1.907500    
 H  -0.3637000      -2.927300      0.2585000    
 H   -5.087200       1.216700      -1.295800    
 H   -5.557600     -0.1646000     -0.2704000    
 H   -4.937900     -0.4523000      -1.906600    


%chk=000097137-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000097137

0 1
O -2.726307 2.071176 -1.482368
O -4.069325 -2.172314 0.101977
N -0.177277 1.633694 0.246122
N 0.136614 -0.251621 1.474846
N -1.999136 -1.351879 0.845429
N -3.381958 -0.067575 -0.670432
C 3.340558 0.397033 -0.361487
C 4.368459 0.608417 -1.504938
C 3.996453 -0.736014 0.472414
C 4.866426 -0.822862 -1.864454
C 4.602326 -1.699144 -0.589266
C 3.022127 1.684725 0.426255
C 1.992515 1.485006 1.577094
C 0.667141 0.954586 1.116348
C -1.304418 0.833065 0.031727
C -1.079217 -0.315752 0.802344
C -2.477574 1.050107 -0.769062
C -3.198819 -1.255780 0.096880
C -1.740865 -2.552079 1.663676
C -4.644655 -0.000775 -1.441459
H 2.399343 0.002939 -0.802065
H 5.209131 1.222819 -1.122972
H 3.939571 1.141357 -2.373356
H 3.282297 -1.244784 1.143838
H 4.800021 -0.300624 1.101733
H 5.933422 -0.819496 -2.150522
H 4.304185 -1.222002 -2.728436
H 3.884605 -2.507122 -0.822353
H 5.523082 -2.185162 -0.220087
H 2.655702 2.465890 -0.272317
H 3.958182 2.079503 0.870431
H 1.848509 2.446807 2.108826
H 2.385880 0.763467 2.312285
H -0.026966 2.549144 -0.177243
H -2.607900 -3.219871 1.557132
H -1.605242 -2.266722 2.720212
H -0.825173 -3.058698 1.315200
H -4.649970 0.960364 -1.976205
H -5.508265 -0.070243 -0.760195
H -4.698479 -0.840578 -2.153351


