%chk=000009499.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000009499

0 1
 O   0.4303000       2.542000      0.2893000    
 O   -5.769800     -0.3925000      0.9549000    
 O   -5.274500      -1.718100     -0.7234000    
 N    2.498200       1.041200     -0.6837000    
 N    1.230600      0.5718000     -0.6264000    
 N   -4.962700     -0.8175000      9.3000002E-02
 C    5.267500      -1.599400      0.8129000    
 C    5.552200     -0.1043000      0.6571000    
 C    3.764500      -1.878900      0.8727000    
 C    4.860500      0.4769000     -0.5704000    
 C    3.037700      -1.330800     -0.3502000    
 C    3.395500      0.1236000     -0.5331000    
 C   0.2453000       1.398400     -0.1194000    
 C   -1.120900      0.8166000     -6.3400000E-02
 C   -2.005700       1.285800      0.8848000    
 C   -1.460300     -0.1734000     -0.9619000    
 C   -3.657100     -0.2623000      3.9799999E-02
 C   -3.288300      0.7401000      0.9370000    
 C   -2.743000     -0.7191000     -0.9097000    
 H    5.710800      -2.147800     -2.7200000E-02
 H    5.745400      -1.969900       1.726800    
 H    6.632900      6.0199998E-02  0.5840000    
 H    5.205700      0.4218000       1.555600    
 H    3.349700      -1.423600       1.780800    
 H    3.597700      -2.959500      0.9482000    
 H    5.288400      5.7599999E-02  -1.487700    
 H    4.986100       1.564000     -0.6016000    
 H    1.988200      -1.574800     -0.1989000    
 H    3.366800      -1.863700      -1.250400    
 H    1.035400     -0.3333000      -1.029100    
 H   -1.732300       2.061800       1.593400    
 H  -0.7959000     -0.5319000      -1.740400    
 H   -3.973700       1.119500       1.690800    
 H   -2.998400      -1.492600      -1.629500    


%chk=000009499-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000009499

0 1
O 0.295012 2.629162 0.267627
O -6.210623 0.007170 0.609089
O -5.583912 -1.676173 -0.797436
N 2.456653 0.905254 -0.249902
N 1.129231 0.472963 -0.177799
N -5.329031 -0.628381 -0.086711
C 5.701042 -1.615359 0.587975
C 5.759704 -0.071395 0.632256
C 4.249743 -2.122505 0.753405
C 4.829009 0.553324 -0.443630
C 3.302429 -1.512769 -0.324088
C 3.417321 0.007203 -0.338186
C 0.105238 1.405521 0.031356
C -1.288191 0.816382 -0.020478
C -2.300020 1.487676 0.714708
C -1.629973 -0.320550 -0.801609
C -3.931470 -0.124692 -0.066631
C -3.625838 1.019748 0.703535
C -2.954397 -0.798605 -0.829870
H 6.107932 -1.972427 -0.380944
H 6.340385 -2.046871 1.381349
H 6.795915 0.281139 0.472271
H 5.447038 0.283565 1.634231
H 3.876894 -1.844217 1.758989
H 4.213913 -3.226284 0.685604
H 5.235279 0.305465 -1.447386
H 4.792264 1.652215 -0.358848
H 2.271942 -1.876783 -0.145031
H 3.606636 -1.896243 -1.320066
H 0.890317 -0.526042 -0.216514
H -2.020773 2.382807 1.278612
H -0.879263 -0.813796 -1.429330
H -4.419033 1.516010 1.268449
H -3.244574 -1.664612 -1.430298


