%chk=000105811.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000105811

0 1
 O    4.391600       1.933800      0.6812000    
 O   0.2869000      -2.233200      0.2697000    
 O   -6.497000     -0.7734000      0.2084000    
 N  -0.1805000      4.1800000E-02 -9.6799999E-02
 N    6.204900     -5.7000000E-02 -0.1349000    
 N   -6.421700       1.484500     -0.1854000    
 C    2.106000     -0.8057000      1.6200000E-02
 C   -1.574400      9.2200004E-02 -7.0299998E-02
 C    2.563200      0.4447000      0.3761000    
 C    3.933700      0.6999000      0.3268000    
 C   0.6456000      -1.077900      6.8700001E-02
 C    4.815300     -0.3012000     -8.1100002E-02
 C    2.956100      -1.812600     -0.3907000    
 C    4.326400      -1.557400     -0.4400000    
 C   -2.231600       1.308600     -0.2561000    
 C   -2.311100      -1.073300      0.1407000    
 C   -4.361800      0.1941000     -1.9500000E-02
 C   -3.625300       1.359500     -0.2305000    
 C   -3.704800      -1.022400      0.1661000    
 C   -5.815000      0.2465000      6.0000001E-03
 C    4.493500       2.908600     -0.3544000    
 H    1.912500       1.234300      0.7381000    
 H    2.591600      -2.793900     -0.6791000    
 H   0.2563000      0.9356000     -0.3032000    
 H    5.002700      -2.345700     -0.7610000    
 H   -1.669400       2.224500     -0.4213000    
 H   -1.876800      -2.051300      0.2918000    
 H   -4.067700       2.336800     -0.3812000    
 H   -4.257900      -1.943400      0.3317000    
 H    6.569100      0.8460000      0.1380000    
 H    6.837300     -0.7891000     -0.4295000    
 H    3.504300       3.131300     -0.7672000    
 H    5.162400       2.564700      -1.149600    
 H    4.906100       3.824700      7.7000000E-02
 H   -7.434700       1.548900     -0.1651000    
 H   -5.944900       2.361200     -0.3511000    


%chk=000105811-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000105811

0 1
O 4.819916 1.875976 -0.422875
O 0.290927 -2.302288 -0.318222
O -6.533730 -0.503410 -0.905374
N -0.114148 -0.018142 0.056734
N 6.389411 -0.179693 0.186927
N -6.490476 1.482654 0.281395
C 2.198049 -0.829359 -0.048561
C -1.525843 0.041610 -0.037569
C 2.757677 0.464489 -0.277130
C 4.144923 0.656639 -0.197736
C 0.734867 -1.127398 -0.125262
C 5.029330 -0.429726 0.116532
C 3.070850 -1.907920 0.237246
C 4.459981 -1.714017 0.325572
C -2.148113 1.291047 0.244942
C -2.336804 -1.067924 -0.410345
C -4.361725 0.327008 -0.195950
C -3.544581 1.429541 0.169050
C -3.731147 -0.908487 -0.491578
C -5.859292 0.392959 -0.308018
C 4.012927 3.043387 -0.773001
H 2.119436 1.302289 -0.579533
H 2.631210 -2.899215 0.383717
H 0.340140 0.848456 0.352100
H 5.118841 -2.559010 0.556708
H -1.530825 2.157242 0.517469
H -1.861633 -2.027313 -0.619001
H -3.979848 2.417254 0.362548
H -4.368869 -1.747236 -0.789403
H 6.726695 0.763305 0.010132
H 7.050055 -0.924678 0.384992
H 3.298938 3.292980 0.036430
H 3.462055 2.879675 -1.719640
H 4.729637 3.867852 -0.900374
H -7.504836 1.537736 0.200987
H -6.003097 2.158415 0.864591


