%chk=000050417.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000050417

0 1
 O    3.126100      0.1436000      0.4641000    
 O   0.2847000      -2.684100     -0.4257000    
 O    2.568600       2.362400      0.3292000    
 O  -6.0899999E-02  -1.086100       1.188100    
 N    1.151100      0.7509000     -0.5270000    
 N   0.9669000     -0.5847000     -0.8293000    
 C   9.3300000E-02   1.609400      -1.019200    
 C   -1.217400       1.323000     -0.3190000    
 C  -2.0800000E-02   1.504400      -2.538700    
 C   -2.118500      0.4496000     -0.9026000    
 C   -1.486700       1.941500      0.8897000    
 C    2.304900       1.182400      0.1074000    
 C   -3.326600      0.1860000     -0.2570000    
 C   -2.694700       1.677800       1.535200    
 C   -3.614600      0.8002000      0.9618000    
 C   0.3566000      -1.418300      8.2999997E-02
 C  -0.3281000      -3.662500      0.4213000    
 C    4.342800      0.5043000       1.127200    
 C  -0.3267000      -4.999600     -0.2885000    
 H   0.3665000       2.650700     -0.8021000    
 H  -0.8287000       2.138800      -2.921400    
 H   0.9106000       1.851700      -3.002900    
 H  -0.1817000      0.4878000      -2.912200    
 H   -1.931100     -6.3800000E-02  -1.838500    
 H  -0.7752000       2.624200       1.345100    
 H    1.315900     -0.9087000      -1.724800    
 H   -4.041400     -0.5010000     -0.7007000    
 H   -2.918600       2.154900       2.484800    
 H   -4.554700      0.5937000       1.465100    
 H   -1.358400      -3.360700      0.6405000    
 H   0.2360000      -3.739500       1.357500    
 H    4.892800     -0.4137000       1.350500    
 H    4.122900       1.019400       2.067200    
 H    4.957400       1.132200      0.4752000    
 H  -0.7891000      -5.772300      0.3320000    
 H  -0.8719000      -4.933500      -1.235800    
 H   0.6962000      -5.305900     -0.5312000    


%chk=000050417-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000050417

0 1
O 3.020934 0.014532 0.360353
O 0.396611 -2.839286 -0.443538
O 2.370555 2.272017 0.436349
O 0.067078 -1.211907 1.234944
N 1.075333 0.666761 -0.686700
N 0.850619 -0.684614 -0.937415
C 0.047127 1.663405 -1.147697
C -1.286155 1.462490 -0.418641
C -0.044277 1.634590 -2.685620
C -2.361016 0.736909 -0.988024
C -1.444676 2.010526 0.880190
C 2.167281 1.083948 0.076001
C -3.568372 0.560091 -0.274355
C -2.648242 1.837532 1.594678
C -3.716284 1.110123 1.018668
C 0.404206 -1.535746 0.077259
C -0.077583 -3.889766 0.502334
C 4.163175 0.362128 1.233447
C 0.034724 -5.222800 -0.230240
H 0.473129 2.632457 -0.833421
H -0.785194 2.373416 -3.037167
H 0.935387 1.885880 -3.128628
H -0.348919 0.641377 -3.061141
H -2.265136 0.308271 -1.991689
H -0.613414 2.564565 1.333167
H 1.277217 -1.106741 -1.765363
H -4.391999 -0.003914 -0.727201
H -2.754001 2.265507 2.597840
H -4.652584 0.974458 1.571971
H -1.117669 -3.653571 0.791915
H 0.550301 -3.852816 1.410940
H 4.749366 -0.565055 1.303591
H 3.800862 0.675769 2.226755
H 4.756663 1.177626 0.787193
H -0.310087 -6.040289 0.428930
H -0.587238 -5.226232 -1.141765
H 1.079777 -5.427139 -0.519622


