%chk=000012912.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000012912

0 1
 O    2.016900       1.763400      -1.099100    
 O   -2.437100       2.655500       1.062100    
 O   -5.476200      -2.056300      0.4896000    
 N  -7.8699999E-02   1.309700      0.5938000    
 N    1.076800      0.5815000      0.6575000    
 N   -4.760800      -2.015700     -0.5104000    
 C   -1.285600      0.7012000      0.3719000    
 C    3.321800      7.8699999E-02 -0.1162000    
 C    2.079800      0.8859000     -0.2416000    
 C   -1.405800     -0.6223000      0.1839000    
 C   -2.449900       1.635100      0.3754000    
 C    4.517100      0.6292000     -0.5285000    
 C    3.238100      -1.193700      0.4086000    
 C   -2.594500      -1.430100      5.5000000E-02
 C   -3.567300       1.413700     -0.5702000    
 C   -3.799100      -1.084300     -0.4352000    
 C   -4.107900      0.2450000     -0.9293000    
 C    5.682700     -0.1279000     -0.4107000    
 C    4.403700      -1.950800      0.5265000    
 C    5.626000      -1.417800      0.1169000    
 H  -2.9899999E-02   2.305300      0.7741000    
 H  -0.5124000      -1.246100      0.1933000    
 H    1.146000     -6.8499997E-02   1.432600    
 H    4.578800       1.633700     -0.9364000    
 H    2.302500      -1.653000      0.7104000    
 H   -2.437000      -2.460100      0.3809000    
 H   -4.001000       2.325900     -0.9746000    
 H   -4.937300      0.2954000      -1.635800    
 H    6.634600      0.2872000     -0.7287000    
 H    4.359300      -2.957900      0.9309000    
 H    6.533300      -2.007900      0.2074000    


%chk=000012912-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000012912

0 1
O 2.306809 2.083403 -0.825206
O -1.766535 2.880803 -0.650850
O -5.140385 -2.964154 0.490982
N -0.096829 1.043049 -0.250478
N 1.054928 0.298581 -0.049268
N -5.381314 -1.713154 0.276299
C -1.372742 0.577186 -0.202969
C 3.503696 0.092220 -0.053590
C 2.290053 0.910026 -0.350435
C -1.660320 -0.797755 0.010213
C -2.323217 1.740412 -0.418953
C 4.735233 0.781908 0.091684
C 3.474847 -1.324154 0.059562
C -2.904839 -1.427810 0.141331
C -3.762298 1.607282 -0.362112
C -4.204064 -0.868471 0.095967
C -4.565392 0.495711 -0.134056
C 5.917537 0.067755 0.372503
C 4.660609 -2.035502 0.339465
C 5.882302 -1.341033 0.503293
H 0.025655 2.052353 -0.487656
H -0.793865 -1.473257 0.052665
H 0.989815 -0.507361 0.576060
H 4.740985 1.870782 -0.022200
H 2.548789 -1.884676 -0.117776
H -2.904924 -2.518149 0.302297
H -4.267118 2.567652 -0.524988
H -5.652852 0.658052 -0.130700
H 6.864343 0.605431 0.487948
H 4.636229 -3.127610 0.415462
H 6.801763 -1.895521 0.719604


