%chk=000085616.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000085616

0 1
 O   -2.847300      0.3082000      0.2210000    
 O  -0.6910000       1.480700     -0.3865000    
 O   -2.954600      -1.819200     -0.6859000    
 N    1.306600      0.2555000     -5.4900002E-02
 N    1.102400      -2.123900      0.2270000    
 C    2.191900       1.358200     -0.1154000    
 C    1.820900      -1.041800      0.1543000    
 C  -8.4700003E-02  0.4279000     -0.2001000    
 C  -0.8808000     -0.8248000     -0.1125000    
 C    3.518100       1.180300      2.4900001E-02
 C    3.294800      -1.193700      0.3036000    
 C    1.683400       2.757100     -0.3369000    
 C    4.079600     -0.1189000      0.2378000    
 C  -0.2455000      -1.981000      8.9599997E-02
 C   -2.340700     -0.8642000     -0.2373000    
 C   -4.272900      0.4230000      0.1647000    
 C   -4.680300       1.776500      0.7067000    
 H    4.213800       2.012400     -1.8100001E-02
 H    3.702800      -2.184900      0.4642000    
 H    1.011500       3.061800      0.4719000    
 H    1.168900       2.838500      -1.299800    
 H    2.497100       3.491800     -0.3572000    
 H    5.154900     -0.2060000      0.3438000    
 H  -0.7951000      -2.914600      0.1642000    
 H   -4.606200      0.3245000     -0.8745000    
 H   -4.727300     -0.3701000      0.7689000    
 H   -5.766600       1.898800      0.6777000    
 H   -4.338100       1.896700       1.739800    
 H   -4.218000       2.579800      0.1235000    


%chk=000085616-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000085616

0 1
O -2.915949 0.403561 0.176585
O -0.517345 1.483343 -0.793767
O -3.001769 -1.917890 0.014033
N 1.396857 0.235600 -0.090740
N 1.171593 -2.195485 0.126318
C 2.237801 1.371399 -0.055669
C 1.944385 -1.079093 0.021743
C -0.095166 0.395250 -0.330897
C -0.846729 -0.806718 -0.021303
C 3.620869 1.179505 -0.018352
C 3.364935 -1.233415 0.038171
C 1.681078 2.776287 0.013289
C 4.198618 -0.123296 -0.000364
C -0.175734 -2.034396 0.150516
C -2.332074 -0.848679 0.033912
C -4.409374 0.415817 0.251842
C -4.821646 1.876030 0.404388
H 4.258061 2.066699 0.011778
H 3.732473 -2.259719 0.097618
H 0.891597 2.870679 0.777192
H 1.219214 3.087210 -0.936812
H 2.506307 3.463929 0.264503
H 5.286322 -0.241343 0.011171
H -0.778110 -2.937374 0.294832
H -4.805834 -0.043972 -0.671633
H -4.722781 -0.209792 1.107568
H -5.923645 1.951948 0.448348
H -4.404759 2.308596 1.329933
H -4.461596 2.473919 -0.449703


