%chk=000088669.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000088669

0 1
 O   -5.206900      -2.182000       1.187100    
 O   -4.495000       2.567500      -1.337900    
 N   -4.070700      9.2699997E-02 -4.3400001E-02
 N    1.479900     -0.5620000      0.2752000    
 N    2.056900      0.4335000     -0.2221000    
 N    7.607800     -0.2203000      9.4200000E-02
 C   -4.881600     -0.8580000     -0.7781000    
 C   -4.717100       1.208900      0.6182000    
 C   -2.672800     -7.3500000E-02  3.7999999E-02
 C   -4.771400      -2.244600     -0.1646000    
 C   -4.216300       2.529500      5.5599999E-02
 C   -1.982800     -0.6946000      -1.003100    
 C   -1.979700      0.3845000       1.158300    
 C  -0.5998000     -0.8578000     -0.9238000    
 C  -0.5967000      0.2216000       1.237700    
 C   8.6300001E-02 -0.3988000      0.1962000    
 C    3.443600      0.2716000     -0.1434000    
 C    4.133200     -0.3481000      -1.185400    
 C    4.137000      0.7287000      0.9774000    
 C    6.209800     -5.3900000E-02  1.4200000E-02
 C    5.516300     -0.5109000      -1.106500    
 C    5.520100      0.5660000       1.056000    
 H   -4.616900     -0.8769000      -1.840800    
 H   -5.936400     -0.5573000     -0.7474000    
 H   -4.577500       1.167900       1.703900    
 H   -5.802600       1.162300      0.4656000    
 H   -3.759700      -2.658200     -0.1863000    
 H   -5.426200      -2.942000     -0.6963000    
 H   -3.142900       2.682000      0.1919000    
 H   -4.732900       3.368800      0.5325000    
 H   -2.479000      -1.049600      -1.900700    
 H   -2.477600      0.8567000       1.999200    
 H  -6.9100000E-02  -1.339700      -1.740600    
 H  -6.4400002E-02  0.5774000       2.115900    
 H   -4.607800      -1.580400       1.660700    
 H   -5.456500       2.474400      -1.449100    
 H    3.601900     -0.7072000      -2.063000    
 H    3.608400       1.213400       1.794200    
 H    6.042300     -0.9958000      -1.925000    
 H    6.049000      0.9262000       1.934700    
 H    8.111700      0.1130000      0.9053000    
 H    8.108500     -0.6675000     -0.6621000    


%chk=000088669-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000088669

0 1
O -5.857712 -1.259960 1.999953
O -5.659947 1.680685 -2.078204
N -4.058051 0.085902 0.048396
N 1.603630 -0.609462 -0.072652
N 2.366098 0.447499 0.124309
N 7.991676 -0.232527 0.021355
C -4.947338 -1.041559 -0.306393
C -4.683042 1.410547 0.218235
C -2.658851 -0.054393 0.009593
C -5.223084 -1.982943 0.886758
C -4.749984 2.256315 -1.075621
C -2.044479 -1.328116 -0.220605
C -1.786446 1.069392 0.212514
C -0.648264 -1.461593 -0.242380
C -0.394113 0.925217 0.197015
C 0.206995 -0.347053 -0.031293
C 3.763269 0.189859 0.082586
C 4.609607 1.314012 0.292045
C 4.364051 -1.084776 -0.149259
C 6.606219 -0.089121 0.042221
C 6.006907 1.184928 0.273605
C 5.756876 -1.221743 -0.168935
H -4.534510 -1.610902 -1.161580
H -5.906535 -0.619097 -0.647476
H -4.139323 1.983868 0.993948
H -5.707829 1.256406 0.606381
H -4.293976 -2.482702 1.227067
H -5.954098 -2.754573 0.591292
H -3.766824 2.278811 -1.571518
H -5.045331 3.297685 -0.819859
H -2.655646 -2.219639 -0.382350
H -2.199790 2.069110 0.374598
H -0.185036 -2.438227 -0.420198
H 0.260889 1.788490 0.351706
H -5.188577 -0.629823 2.371841
H -6.593239 1.771320 -1.757091
H 4.136500 2.286070 0.468355
H 3.707794 -1.945763 -0.310424
H 6.643386 2.063129 0.436802
H 6.210247 -2.205258 -0.347625
H 8.419098 -1.139205 -0.144106
H 8.601185 0.566686 0.169390


