%chk=000052559.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000052559

0 1
 O   -4.527200       1.253600      -1.221500    
 O   -4.187000       1.091800       1.016400    
 N    1.233000      -2.238300     -0.2015000    
 C  -0.3137000     -0.7383000      0.3321000    
 C   0.9270000     -6.0199998E-02  0.1717000    
 C  -9.3300000E-02  -2.075800      9.6199997E-02
 C    1.880700      -1.024000     -0.1630000    
 C   -1.607900     -0.1192000      0.6870000    
 C    1.331500       1.285300      0.2793000    
 C   -2.449400      0.3412000     -0.5200000    
 C    3.224000     -0.7084000     -0.3961000    
 C    2.671900       1.615800      4.8700001E-02
 C   -1.013700      -3.229200      0.1211000    
 C    3.601800      0.6327000     -0.2836000    
 C    3.108300       3.039000      0.1612000    
 C   -3.786000      0.9339000     -0.1280000    
 H   -2.201200     -0.8243000       1.284700    
 H   -1.438000      0.7394000       1.349900    
 H    1.677600      -3.119700     -0.4189000    
 H   0.6099000       2.055200      0.5390000    
 H   -1.896000       1.098800      -1.086900    
 H   -2.640000     -0.5140000      -1.179000    
 H    3.948600      -1.473200     -0.6545000    
 H   -1.335300      -3.438000       1.146500    
 H   -1.904400      -3.025900     -0.4821000    
 H  -0.5441000      -4.135300     -0.2758000    
 H    4.642000      0.8983000     -0.4591000    
 H    3.424200       3.254700       1.186700    
 H    3.942900       3.251500     -0.5156000    
 H    2.296600       3.723800     -0.1075000    
 H   -5.400500       1.625900     -0.9747000    


%chk=000052559-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000052559

0 1
O -4.208956 1.726527 -1.361616
O -4.313678 1.029550 0.849725
N 1.294857 -2.347413 -0.118958
C -0.361787 -0.853883 0.375629
C 0.882673 -0.125066 0.183065
C -0.075197 -2.212268 0.185137
C 1.904262 -1.087329 -0.125947
C -1.702249 -0.239732 0.696167
C 1.232392 1.250469 0.254704
C -2.344479 0.439785 -0.539463
C 3.241735 -0.707328 -0.364910
C 2.564753 1.653219 0.020635
C -0.962371 -3.422853 0.258354
C 3.553335 0.664617 -0.289355
C 2.966446 3.118212 0.094830
C -3.689885 1.065354 -0.234187
H -2.402690 -0.997869 1.090405
H -1.596486 0.515045 1.498583
H 1.765509 -3.233280 -0.290319
H 0.472976 2.003672 0.499346
H -1.679914 1.221040 -0.953638
H -2.483100 -0.291269 -1.359422
H 4.017201 -1.445298 -0.600112
H -0.579486 -4.170771 0.979770
H -1.976034 -3.138868 0.584424
H -1.058499 -3.927043 -0.723345
H 4.585349 0.989780 -0.470906
H 3.734043 3.288448 0.873939
H 3.393747 3.470111 -0.863608
H 2.102204 3.762756 0.332137
H -5.094371 2.118787 -1.128367


