%chk=000052590.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000052590

0 1
 O    2.973500      -2.436100      0.1514000    
 O    4.060100       1.386700      -1.362000    
 O    3.265600       1.369600       2.066800    
 O  -3.8000001E-03   1.989800     -0.6299000    
 O   -2.085700      -2.886700      2.7899999E-02
 N    1.676200     -0.1496000     -0.8791000    
 C    2.690400     -8.5000005E-03  0.1325000    
 C    2.706500      -1.302700      0.9707000    
 C    4.047600      0.2028000     -0.5713000    
 C    2.325300       1.205800       1.009900    
 C   0.3563000     -0.3543000     -0.5953000    
 C  -0.4851000      0.8717000     -0.4786000    
 C   -1.921200      0.7097000     -0.1732000    
 C  -0.1980000      -1.560800     -0.4231000    
 C   -2.473600     -0.5595000      1.7000000E-03
 C   -1.629200      -1.759500     -0.1175000    
 C   -2.734700       1.843600     -5.8600001E-02
 C   -3.835700     -0.6987000      0.2918000    
 C   -4.092500       1.702600      0.2303000    
 C   -4.642000      0.4341000      0.4055000    
 H    1.797400      0.5061000      -1.650000    
 H    3.501900      -1.267800       1.722700    
 H    1.770200      -1.474700       1.511000    
 H    4.276400     -0.6346000      -1.240300    
 H    4.856800      0.2782000      0.1635000    
 H    1.345100       1.103000       1.486200    
 H    2.321300       2.135700      0.4321000    
 H   0.3833000      -2.471200     -0.5198000    
 H    2.518600      -2.315700     -0.6980000    
 H    4.942100       1.450300      -1.766500    
 H    3.105400      0.6667000       2.718600    
 H   -2.331100       2.844000     -0.1900000    
 H   -4.286100      -1.677600      0.4321000    
 H   -4.722100       2.583300      0.3191000    
 H   -5.699200      0.3271000      0.6304000    


%chk=000052590-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000052590

0 1
O 2.397841 -2.139084 -1.047521
O 3.707001 1.934062 -0.819003
O 4.336134 -0.125770 2.295903
O -0.266874 2.030732 -1.385715
O -1.986651 -2.103590 1.800627
N 1.583717 0.526949 -0.215011
C 2.849062 -0.044881 0.280921
C 2.902681 -1.604847 0.210877
C 3.963846 0.493406 -0.645881
C 3.098089 0.445071 1.744701
C 0.290091 0.175472 0.051429
C -0.704964 1.072981 -0.672341
C -2.150160 0.785758 -0.512891
C -0.173315 -0.858233 0.867594
C -2.585710 -0.291292 0.311531
C -1.587439 -1.149130 1.043286
C -3.100905 1.591318 -1.190535
C -3.967294 -0.550903 0.447941
C -4.477423 1.324511 -1.050313
C -4.910557 0.252068 -0.230198
H 1.702747 1.381517 -0.787452
H 3.959578 -1.916144 0.248868
H 2.385310 -2.059436 1.080639
H 3.918458 -0.038100 -1.617211
H 4.939155 0.318898 -0.151929
H 2.220940 0.207340 2.379137
H 3.250908 1.535772 1.731971
H 0.501669 -1.492338 1.447322
H 1.417267 -1.995077 -1.090321
H 4.327341 2.317808 -1.484121
H 4.143798 -0.992553 2.731910
H -2.738833 2.413020 -1.816550
H -4.272265 -1.383564 1.089557
H -5.212221 1.944750 -1.574138
H -5.981020 0.046307 -0.122082


