%chk=000019565.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000019565

0 1
 O   0.3602000       1.016600       1.678600    
 O   -3.269000     -0.4257000      -1.479800    
 O    1.211800      -1.531600      0.6141000    
 N    2.514000      8.5500002E-02 -0.4474000    
 N   -4.334200     -0.5708000      0.5520000    
 C  -0.8359000      0.4863000     -0.3481000    
 C   -2.047300      0.1781000      0.5304000    
 C   0.3961000      0.8939000      0.4531000    
 C    1.681700       1.156200     -0.2743000    
 C   -3.253200     -0.2985000     -0.2591000    
 C    2.224800      -1.189300      8.2999999E-03
 C    2.018700       2.365500     -0.7391000    
 C    3.332300      -2.166300     -0.2886000    
 H   -1.080000       1.309200      -1.030400    
 H  -0.5854000     -0.3883000     -0.9586000    
 H   -2.336000       1.073000       1.095200    
 H   -1.790300     -0.6003000       1.259500    
 H    3.392400      0.2460000     -0.9346000    
 H    2.953500       2.536200      -1.263400    
 H    1.360200       3.217500     -0.6037000    
 H   -5.211000     -0.8980000      0.1603000    
 H   -4.298500     -0.4576000       1.560100    
 H    2.973000      -3.187500     -0.1341000    
 H    4.175200      -1.975000      0.3810000    
 H    3.661100      -2.065700      -1.327000    


%chk=000019565-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000019565

0 1
O -0.034575 2.387206 0.995299
O -3.405735 -0.109509 -1.333452
O 1.148563 -1.052782 1.094583
N 2.278080 0.101435 -0.585033
N -3.882451 -1.230434 0.638296
C -0.771834 0.584648 -0.466492
C -1.829717 0.125582 0.551903
C 0.282521 1.477617 0.180123
C 1.719502 1.384964 -0.307899
C -3.086084 -0.407042 -0.142927
C 1.992061 -1.053023 0.149956
C 2.410351 2.530547 -0.563240
C 2.739376 -2.307071 -0.284811
H -1.285264 1.185673 -1.246879
H -0.318636 -0.274666 -0.984302
H -2.115760 0.996379 1.174907
H -1.388926 -0.628935 1.228118
H 3.041238 0.059345 -1.264548
H 3.439488 2.529329 -0.940302
H 1.930380 3.494781 -0.381891
H -4.758654 -1.576884 0.248397
H -3.624707 -1.481964 1.590934
H 2.033097 -2.999004 -0.777959
H 3.127937 -2.819421 0.610338
H 3.573949 -2.107370 -0.978720


