%chk=000018488.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000018488

0 1
 O   -3.645000     -0.2397000       1.159400    
 O   -1.308100      0.9569000       1.492000    
 N  -0.5476000      0.4563000     -0.6358000    
 N   0.6415000       1.088800     -0.4170000    
 C   -2.778600     -0.2956000      2.8300000E-02
 C   -2.527000      -1.775300     -0.3391000    
 C   -3.504300      0.4078000      -1.140600    
 C   -1.476000      0.4391000      0.3875000    
 C   -1.885000      -2.605500      0.7686000    
 C   -3.901700       1.851900     -0.8454000    
 C    1.812200      0.3328000     -0.2870000    
 C    3.005600      0.9137000      0.1622000    
 C    1.797200      -1.030500     -0.6101000    
 C    4.163100      0.1452000      0.2859000    
 C    3.061500       2.364400      0.5157000    
 C    2.954700      -1.799100     -0.4863000    
 C    4.137600      -1.211300     -3.8400002E-02
 H   -3.485500      -2.251400     -0.5836000    
 H   -1.900600      -1.846800      -1.236100    
 H   -4.428400     -0.1394000      -1.368500    
 H   -2.892200      0.3879000      -2.049900    
 H   -2.533500      -2.673800       1.646900    
 H   -1.706700      -3.625300      0.4120000    
 H  -0.9226000      -2.188100       1.078500    
 H   -4.433900       2.274600      -1.703800    
 H   -3.024500       2.477900     -0.6571000    
 H   -4.565500       1.915700      2.2200000E-02
 H   -3.181100     -0.6232000       1.922100    
 H  -0.6936000      8.0499999E-02  -1.566100    
 H   0.6140000       2.073300     -0.1894000    
 H   0.9015000      -1.530400     -0.9689000    
 H    5.093400      0.5868000      0.6331000    
 H    4.061200       2.663600      0.8496000    
 H    2.812200       2.981600     -0.3538000    
 H    2.367300       2.587600       1.332700    
 H    2.935800      -2.855000     -0.7400000    
 H    5.038800      -1.809800      5.7399999E-02


%chk=000018488-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000018488

0 1
O -3.661061 -0.332177 1.189427
O -1.248740 0.716370 1.525678
N -0.564686 0.456967 -0.677689
N 0.672815 1.097697 -0.474210
C -2.832863 -0.372721 -0.016584
C -2.602539 -1.861291 -0.417208
C -3.585967 0.398408 -1.138826
C -1.482238 0.306107 0.344281
C -1.905652 -2.698538 0.673317
C -3.818020 1.889126 -0.824731
C 1.838980 0.296541 -0.270280
C 3.030869 0.951898 0.169507
C 1.845761 -1.090042 -0.560809
C 4.203663 0.176517 0.307901
C 3.025562 2.437832 0.479765
C 3.034940 -1.836874 -0.417453
C 4.221999 -1.208123 0.017335
H -3.602177 -2.287535 -0.626816
H -2.029889 -1.905315 -1.366930
H -4.562163 -0.108516 -1.258403
H -3.049895 0.278969 -2.103672
H -2.491090 -2.662791 1.607877
H -1.822199 -3.754439 0.359213
H -0.886700 -2.329209 0.892935
H -4.427294 2.364823 -1.613863
H -2.867153 2.449840 -0.750325
H -4.353074 1.990429 0.134757
H -3.090382 0.052119 1.917114
H -0.812369 0.251990 -1.647328
H 0.578953 1.919714 0.131518
H 0.923250 -1.583634 -0.882827
H 5.121075 0.671630 0.649003
H 4.031643 2.780449 0.773008
H 2.706396 3.037261 -0.395316
H 2.341976 2.685414 1.318213
H 3.027821 -2.909438 -0.641678
H 5.146648 -1.783258 0.131297


