%chk=000076531.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000076531

0 1
 O  -0.7908000      -1.189400      -1.375500    
 O    2.494700       1.408700     -0.7956000    
 N   -1.858000      0.5665000     -0.2159000    
 N   -2.756600      -1.506400     -0.1436000    
 N   0.9170000      0.6962000      0.7292000    
 C   -3.010800      0.6836000      0.6596000    
 C  -0.9821000       1.674700     -0.4866000    
 C   -3.672000     -0.6854000      0.6074000    
 C   -1.689700     -0.7572000     -0.6662000    
 C   6.5099999E-02   1.856200      0.5993000    
 C    2.089100      0.5657000      3.5999999E-03
 C    2.848900     -0.7040000      0.2624000    
 C    2.351500      -1.727500       1.237300    
 C    3.993700     -0.8817000     -0.4155000    
 H   -3.674700       1.475800      0.3012000    
 H   -2.666400      0.9242000       1.670200    
 H  -0.4861000       1.487200      -1.446000    
 H   -1.589500       2.579700     -0.5929000    
 H   -3.823300      -1.118600       1.599700    
 H   -4.626800     -0.6587000      7.4199997E-02
 H   0.6809000       2.734700      0.3782000    
 H  -0.4079000       2.015000       1.574200    
 H   -2.887900      -2.497800     -0.3177000    
 H   0.6142000     -2.7500000E-02   1.371800    
 H    1.371000      -2.107400      0.9319000    
 H    3.025400      -2.588600       1.306200    
 H    2.271100      -1.298200       2.241400    
 H    4.591000      -1.777300     -0.2742000    
 H    4.376300     -0.1568000      -1.125900    


%chk=000076531-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000076531

0 1
O -0.950517 -1.634276 -0.546524
O 2.680338 1.811723 0.764957
N -2.102118 0.414649 -0.166320
N -2.858475 -1.429213 0.869272
N 0.989059 0.513760 -0.137720
C -3.128304 0.911737 0.772694
C -1.217482 1.274490 -0.964497
C -3.861631 -0.401812 1.201530
C -1.882408 -0.956127 -0.005747
C 0.102662 1.677818 -0.274064
C 2.255868 0.665305 0.393882
C 3.085679 -0.599474 0.499406
C 2.539123 -1.906000 -0.050033
C 4.308447 -0.495921 1.085846
H -3.814779 1.623554 0.281524
H -2.665777 1.415560 1.645970
H -0.985965 0.739467 -1.905045
H -1.781985 2.187002 -1.228527
H -4.108227 -0.397879 2.276667
H -4.796745 -0.543114 0.623209
H 0.610169 2.459106 -0.874050
H -0.090041 2.133615 0.718486
H -2.966838 -2.424992 1.043342
H 0.600859 -0.408532 -0.387835
H 2.349108 -1.840016 -1.138690
H 3.255652 -2.727482 0.118198
H 1.579823 -2.190922 0.422544
H 4.969785 -1.362437 1.197467
H 4.652022 0.476111 1.456259


