%chk=000028918.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000028918

0 1
 O   -1.982800       1.260000      -2.016000    
 O    1.508000       1.867000      0.7543000    
 O  -0.5326000       2.891800      0.6701000    
 N   -2.690300      0.1600000     -9.1600001E-02
 N    4.842800      -2.416600     -0.5675000    
 C   -4.448400      -1.915900      0.9161000    
 C   -4.633600      -1.318300     -0.4759000    
 C   -2.986800      -1.832400       1.347500    
 C   -4.086000      0.1038000     -0.5367000    
 C   -2.448000     -0.4057000       1.244700    
 C   -1.741000      0.7599000     -0.9159000    
 C  -0.3445000      0.8062000     -0.4384000    
 C   0.4293000     -0.2337000     -0.7707000    
 C    1.820000     -0.2780000     -0.3463000    
 C   0.1740000       1.937800      0.3628000    
 C    2.327500      0.7751000      0.4077000    
 C    2.664000      -1.343100     -0.6705000    
 C    3.650100      0.7935000      0.8459000    
 C    3.993400      -1.338700     -0.2381000    
 C    4.485000     -0.2727000      0.5185000    
 H   -5.075500      -1.375500       1.635500    
 H   -4.778900      -2.960400      0.9202000    
 H   -4.110400      -1.943300      -1.210200    
 H   -5.695700      -1.320900     -0.7443000    
 H   -2.880400      -2.196000       2.375500    
 H   -2.386300      -2.491100      0.7074000    
 H   -4.187700      0.4921000      -1.555000    
 H   -4.662700      0.7641000      0.1222000    
 H   -2.960500      0.2447000       1.963600    
 H   -1.386400     -0.3953000       1.500800    
 H   4.8900001E-02  -1.064100      -1.357900    
 H    2.288800      -2.177600      -1.259400    
 H    4.030500       1.623200       1.433800    
 H    5.517700     -0.2636000      0.8577000    
 H    5.805100      -2.415800     -0.2567000    
 H    4.489900      -3.189700      -1.115700    


%chk=000028918-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000028918

0 1
O -1.746107 0.160147 -2.252919
O 1.377852 1.259317 1.145662
O -0.798573 1.992764 1.205960
N -2.749350 -0.065219 -0.157259
N 5.557796 -1.834818 -1.023688
C -5.016944 -1.404254 1.123401
C -4.990938 -1.149335 -0.401605
C -3.576086 -1.560457 1.659694
C -4.107437 0.071353 -0.735595
C -2.699472 -0.337714 1.296101
C -1.650084 0.096876 -0.979975
C -0.271923 0.183031 -0.352107
C 0.751817 -0.558418 -0.914637
C 2.117316 -0.458096 -0.457585
C 0.005346 1.190129 0.687046
C 2.391805 0.465268 0.592767
C 3.182972 -1.227331 -0.998605
C 3.697625 0.615603 1.101183
C 4.501448 -1.087438 -0.502390
C 4.739659 -0.153323 0.560012
H -5.508318 -0.548138 1.630711
H -5.615254 -2.304633 1.357908
H -4.592785 -2.040699 -0.924588
H -6.012776 -0.969188 -0.786327
H -3.577645 -1.676854 2.760407
H -3.120948 -2.475288 1.230567
H -3.987441 0.202593 -1.822805
H -4.569753 0.990859 -0.317729
H -3.042173 0.560851 1.846634
H -1.656950 -0.527566 1.595165
H 0.507699 -1.232013 -1.744317
H 2.969873 -1.932879 -1.810847
H 3.879174 1.332226 1.907111
H 5.756339 -0.036230 0.953624
H 6.502067 -1.720295 -0.668494
H 5.408667 -2.490029 -1.784983


