%chk=000005064.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000005064

0 1
 O    1.330400     -0.6562000      0.8012000    
 O    1.686700       2.757700     -0.2151000    
 O    3.416600      0.7150000      -1.776200    
 O    3.011200      -2.913500      0.7473000    
 O   -3.338400      -1.872800      -1.158400    
 N  -0.6420000      0.6348000      0.5899000    
 N   -1.236900     -0.3633000     -7.9800002E-02
 N   -2.764900       1.123400      0.7496000    
 N   -4.895100     -0.3929000     -0.3552000    
 C    2.833200      0.6345000     -0.4896000    
 C    1.511200       1.370700     -0.4456000    
 C    2.403700     -0.7833000     -0.1474000    
 C   0.8125000      0.6861000      0.7237000    
 C    3.516700      -1.620700      0.4567000    
 C   -1.555900       1.514200       1.079600    
 C   -2.520900     -2.1199999E-02  4.5800000E-02
 C   -3.567900     -0.8126000     -0.5263000    
 H   0.9625000       1.253100      -1.388300    
 H    3.538500       1.048500      0.2401000    
 H    1.995200      -1.303200      -1.023400    
 H    1.022700       1.184000       1.678000    
 H    3.869000      -1.183500       1.396800    
 H    4.357800      -1.717300     -0.2366000    
 H   0.8034000       3.150800     -0.1118000    
 H    2.793400      0.3380000      -2.420200    
 H   -1.295800       2.394600       1.650000    
 H    3.742000      -3.426800       1.132000    
 H   -5.129600      0.4530000      0.1546000    
 H   -5.665400     -0.9295000     -0.7398000    


%chk=000005064-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000005064

0 1
O 1.474109 -0.322690 1.316241
O 2.686553 2.262771 0.285314
O 1.185836 -0.219630 -2.083267
O 3.654414 -2.312409 1.409906
O -2.974351 -0.899491 -2.419913
N -0.611588 0.737879 0.724055
N -1.066338 0.177666 -0.468882
N -2.815641 0.482332 1.007793
N -4.644826 -0.565521 -0.807053
C 2.070635 0.192607 -1.013412
C 1.577065 1.476412 -0.271663
C 2.223882 -0.861870 0.125905
C 0.841662 0.931801 0.970387
C 3.666985 -1.125885 0.546031
C -1.671646 0.899590 1.591929
C -2.402372 0.045528 -0.253506
C -3.347165 -0.518227 -1.273802
H 0.931496 2.085362 -0.932054
H 3.038158 0.391161 -1.507353
H 1.743788 -1.811210 -0.170223
H 0.932361 1.617672 1.829193
H 4.062824 -0.231177 1.068934
H 4.272202 -1.319571 -0.366874
H 3.213527 2.646758 -0.459627
H 0.241297 -0.242439 -1.730229
H -1.573397 1.301124 2.596616
H 4.515463 -2.383189 1.891673
H -4.855689 -0.237283 0.137283
H -5.375344 -0.936469 -1.411801


