%chk=000058308.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000058308

0 1
 O    2.289200     -0.2275000     -0.4961000    
 O   0.9709000       1.624900     -0.6001000    
 O  -0.3079000      -2.633600      0.8028000    
 N   9.1000004E-03 -0.5031000     -0.1456000    
 N   0.4077000      -1.963600      5.2299999E-02
 C    3.445500      0.5457000     -0.1528000    
 C    3.305500       1.048400       1.276100    
 C    4.691100     -0.3085000     -0.3336000    
 C   -1.319700     -8.4600002E-02 -7.1500003E-02
 C    1.078900      0.4136000     -0.4119000    
 C   -1.621600       1.205800      0.3637000    
 C   -2.346500     -0.9564000     -0.4337000    
 C   -2.950200       1.624400      0.4367000    
 C   -3.675100     -0.5379000     -0.3608000    
 C   -3.976900      0.7525000      7.4600004E-02
 H    3.517700       1.396700     -0.8414000    
 H    4.221200       1.551700       1.603700    
 H    2.484400       1.762000       1.390400    
 H    3.102300      0.2192000       1.963100    
 H    5.599600      0.2549000     -0.1006000    
 H    4.758200     -0.6704000      -1.365200    
 H    4.652500      -1.195400      0.3083000    
 H  -0.8688000       1.902200      0.7171000    
 H   -2.150400      -1.957200     -0.8080000    
 H   -3.186900       2.624200      0.7890000    
 H   -4.474600      -1.214100     -0.6492000    
 H   -5.011500       1.077800      0.1330000    


%chk=000058308-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000058308

0 1
O 2.265364 -0.309822 0.119133
O 0.900528 1.535027 -0.350209
O -0.688396 -2.594993 1.029544
N -0.042105 -0.541000 0.250544
N 0.309131 -1.863264 0.786800
C 3.502504 0.542152 -0.103767
C 3.804058 1.317970 1.184433
C 4.588382 -0.455455 -0.507036
C -1.407371 -0.094038 0.077887
C 1.058039 0.337065 -0.016716
C -1.870602 1.055868 0.760525
C -2.278370 -0.848910 -0.742701
C -3.212985 1.459706 0.603746
C -3.621796 -0.440111 -0.885532
C -4.091800 0.712480 -0.215170
H 3.264973 1.241533 -0.926542
H 4.727344 1.911387 1.053315
H 2.983474 2.013314 1.428692
H 3.954828 0.622997 2.028970
H 5.531137 0.083028 -0.712060
H 4.296806 -1.009586 -1.415051
H 4.769355 -1.183534 0.302562
H -1.184200 1.632546 1.386650
H -1.909228 -1.735029 -1.266749
H -3.571714 2.356085 1.120598
H -4.299231 -1.021260 -1.520105
H -5.134422 1.027543 -0.331459


