%chk=000025051.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000025051

0 1
 O   -1.517400     -0.6417000       1.122500    
 O  -0.1148000       1.254200      -1.054500    
 O   -3.524900       1.475600      0.1487000    
 O   -1.824400      -2.911000     -0.4936000    
 N   0.6510000      0.2945000      0.8231000    
 N    2.103000      0.5225000      -1.050700    
 N    4.267600     -0.2451000     -0.8851000    
 C   -1.145300       1.412700     -5.3700000E-02
 C  -0.7255000      0.5535000       1.137600    
 C   -2.450800      0.8061000     -0.5108000    
 C   -2.391300     -0.6348000     -1.9300001E-02
 C   0.9655000      0.6770000     -0.4506000    
 C   -1.846600      -1.608900      -1.055600    
 C    1.606100     -0.3242000       1.577400    
 C    2.832500     -0.5421000       1.085200    
 C    3.115300     -8.8299997E-02 -0.3207000    
 H   -1.211700       2.476600      0.1981000    
 H  -0.8645000       1.062200       2.097100    
 H   -2.621200      0.8811000      -1.588600    
 H   -3.367600     -0.9886000      0.3317000    
 H  -0.8233000      -1.363500      -1.351000    
 H   -2.482400      -1.623700      -1.946400    
 H    1.304300     -0.6201000       2.573700    
 H   -3.392300       1.391800       1.108500    
 H    3.612700      -1.029900       1.654900    
 H   -1.481500      -3.512100      -1.176700    
 H    4.923100     -0.7063000     -0.2453000    


%chk=000025051-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000025051

0 1
O -1.670855 -0.454793 1.305133
O -0.129615 1.458496 -1.022606
O -3.684879 1.447426 0.097851
O -1.731620 -2.912226 -0.450867
N 0.611754 0.378747 0.858123
N 2.053725 0.521741 -1.086858
N 4.204421 -0.442671 -1.046768
C -1.227433 1.549338 -0.015125
C -0.764119 0.703860 1.220572
C -2.506161 0.826875 -0.512809
C -2.328559 -0.633641 -0.034634
C 0.949637 0.760215 -0.456400
C -1.569226 -1.559451 -0.990930
C 1.551970 -0.374010 1.574275
C 2.756026 -0.663860 0.987311
C 3.080412 -0.218793 -0.397693
H -1.416139 2.613076 0.187680
H -0.821639 1.198146 2.203004
H -2.639198 0.940432 -1.598223
H -3.302099 -1.103281 0.185432
H -0.501430 -1.282763 -1.083151
H -2.036657 -1.472651 -1.996222
H 1.258725 -0.704312 2.573114
H -3.736400 1.167097 1.049238
H 3.497763 -1.247127 1.540125
H -1.180008 -3.547044 -0.972343
H 4.877205 -0.981329 -0.461330


