%chk=000027593.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000027593

0 1
 O    5.286000     -3.8100000E-02 -0.5491000    
 O    4.633800       1.601200      0.7571000    
 N  -0.8733000      -1.393100     -8.0399998E-02
 N    4.390400      0.5692000      8.6099997E-02
 C   -2.131400     -0.7619000      1.0700000E-02
 C   0.4457000     -0.9013000     -3.8800001E-02
 C   -3.533800       1.171900     -0.3510000    
 C   -2.289200      0.5484000     -0.4410000    
 C   -3.218300      -1.448500      0.5524000    
 C    1.459600      -1.558800     -0.7371000    
 C   0.7418000      0.2448000      0.7011000    
 C   -4.620500      0.4852000      0.1905000    
 C   -4.462700     -0.8250000      0.6422000    
 C    3.060400      7.3500000E-02  4.4000000E-02
 C    2.766000      -1.071900     -0.6958000    
 C    2.048200      0.7319000      0.7425000    
 C   -3.702900       2.572800     -0.8331000    
 H  -0.9304000      -2.400800     -0.1992000    
 H   -1.458600       1.089300     -0.8876000    
 H   -3.107700      -2.469600      0.9085000    
 H    1.242500      -2.451800      -1.317900    
 H  -2.2100000E-02  0.7650000       1.272500    
 H   -5.595700      0.9589000      0.2646000    
 H   -5.308900      -1.359700       1.063700    
 H    3.528800      -1.610500      -1.252300    
 H    2.241600       1.623900       1.332900    
 H   -2.798600       3.162900     -0.6491000    
 H   -3.914400       2.577600      -1.907000    
 H   -4.524900       3.076500     -0.3132000    


%chk=000027593-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000027593

0 1
O 5.429044 -0.259059 -0.311354
O 4.699224 1.689986 0.635507
N -0.863896 -1.395162 -0.209250
N 4.485386 0.516138 0.126516
C -2.117592 -0.740700 -0.038545
C 0.430664 -0.874556 -0.125182
C -3.594717 1.222738 -0.256012
C -2.323472 0.615966 -0.401341
C -3.208661 -1.506431 0.452868
C 1.512656 -1.678639 -0.606653
C 0.727670 0.396434 0.458078
C -4.671742 0.449502 0.248965
C -4.477579 -0.908697 0.586920
C 3.102634 0.038478 0.042745
C 2.836080 -1.231760 -0.524049
C 2.052557 0.846438 0.540050
C -3.806434 2.666400 -0.679627
H -0.921650 -2.397797 -0.400374
H -1.503039 1.194785 -0.837686
H -3.055114 -2.552761 0.743418
H 1.297840 -2.655877 -1.056003
H -0.074252 1.005975 0.880243
H -5.659465 0.908686 0.369525
H -5.314857 -1.501172 0.971637
H 3.668694 -1.835759 -0.893720
H 2.295777 1.810160 0.995462
H -2.905505 3.280145 -0.504046
H -4.042055 2.731051 -1.759552
H -4.646795 3.127489 -0.132341


