%chk=000096352.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000096352

0 1
 O   0.2127000     -0.3772000       2.273700    
 O   0.2470000       2.232000       1.011100    
 O   0.1053000      -2.492800      0.2927000    
 O   -3.278300      0.2494000      -1.166200    
 O    1.306700      0.3980000      -1.769500    
 N    1.642800     -0.1466000      0.4673000    
 N   -1.513900       1.216500     -5.7100002E-02
 N   -1.584500      -1.105500     -0.4087000    
 N    3.432900      9.0499997E-02 -0.9603000    
 C   0.2627000     -0.1670000      0.8760000    
 C  -0.3054000       1.203300      0.6204000    
 C  -0.3830000      -1.364300      0.2304000    
 C   -2.201300      0.1278000     -0.5794000    
 C    2.056400      0.1360000     -0.8305000    
 H    2.347800     -0.3794000       1.159500    
 H   -1.937200       2.128500     -0.2055000    
 H   -2.059600      -1.906100     -0.8164000    
 H  -0.7216000     -0.3904000       2.544400    
 H    4.035300     -0.1270000     -0.1737000    
 H    3.883000      0.2750000      -1.850600    


%chk=000096352-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000096352

0 1
O 0.226772 -0.388876 2.310152
O 0.278176 2.316197 0.845546
O 0.155528 -2.494874 0.068408
O -3.391305 0.260082 -1.134002
O 1.240915 0.259427 -1.596753
N 1.740768 -0.154062 0.610459
N -1.572750 1.237606 -0.042110
N -1.634237 -1.102651 -0.419934
N 3.488890 0.076486 -0.964724
C 0.316970 -0.157841 0.862746
C -0.288559 1.246948 0.529390
C -0.358404 -1.354627 0.110727
C -2.273664 0.141383 -0.575531
C 2.134016 0.069879 -0.701361
H 2.353523 -0.362087 1.398249
H -2.008444 2.151733 -0.204757
H -2.114339 -1.895091 -0.859932
H -0.720213 -0.439240 2.596610
H 4.200243 -0.047356 -0.248250
H 3.773913 0.237664 -1.927333


