%chk=000128937.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000128937

0 1
 O   -1.111500       2.221700      -1.369100    
 O   -3.468300       1.449900     -0.3337000    
 O   -3.796100      -2.379700     -0.1100000    
 O    1.906300       1.976000       1.352700    
 O    4.653400      -1.237300     -0.4840000    
 N   0.9163000      0.2158000      0.1781000    
 N    3.272700      0.3752000      0.4367000    
 C  -0.4263000      0.6994000      0.3907000    
 C   -1.158200      0.8692000     -0.9468000    
 C   -2.596900      0.3895000     -0.6950000    
 C   -2.432900     -0.5166000      0.4871000    
 C   -1.244100     -0.3450000       1.079600    
 C   -3.516600      -1.438700      0.9161000    
 C    2.015500      0.9337000      0.7034000    
 C    1.125400     -0.9538000     -0.5422000    
 C    2.329800      -1.473800     -0.7882000    
 C    3.531500     -0.7857000     -0.2753000    
 H  -0.4245000       1.625900      0.9753000    
 H  -0.7261000      0.2747000      -1.759000    
 H   -2.991800     -0.1217000      -1.578800    
 H  -0.9272000     -0.8678000       1.971900    
 H   -4.430400     -0.8775000       1.135900    
 H   -3.232000      -1.991900       1.817400    
 H   -1.681500       2.302100      -2.152800    
 H   0.2498000      -1.479100     -0.9088000    
 H   -4.366500       1.083900     -0.2643000    
 H    4.077900      0.8743000      0.8046000    
 H    2.454700      -2.392400      -1.348100    
 H   -4.513500      -2.950900      0.2135000    


%chk=000128937-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000128937

0 1
O -1.169255 1.941271 -1.720560
O -3.450522 1.210350 -0.722129
O -4.789726 -0.680685 0.776621
O 1.656624 2.148730 1.151790
O 5.029671 -0.785766 -0.226710
N 1.011778 0.116587 0.137772
N 3.301835 0.648838 0.426613
C -0.425917 0.486587 0.226767
C -1.138148 0.606283 -1.176387
C -2.575271 0.037519 -0.936165
C -2.450245 -0.775174 0.343022
C -1.274485 -0.524347 0.977331
C -3.613319 -1.594764 0.822385
C 1.972658 1.056833 0.608955
C 1.401412 -1.100290 -0.414214
C 2.714771 -1.472147 -0.564259
C 3.786924 -0.573000 -0.140672
H -0.436001 1.470083 0.733498
H -0.597370 -0.017839 -1.911197
H -2.957193 -0.543665 -1.798400
H -0.972571 -0.929031 1.949281
H -3.451427 -1.968211 1.851945
H -3.793812 -2.456615 0.144857
H -2.017109 2.354025 -1.388710
H 0.580707 -1.758959 -0.714242
H -4.226922 0.889553 -0.180487
H 4.012120 1.314183 0.749034
H 2.989726 -2.434117 -0.996786
H -5.630032 -1.186832 0.897945


