%chk=000047528.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000047528

0 1
 O    2.887000     -0.2995000      0.5015000    
 O  -0.6607000       2.083400     -0.7765000    
 O    4.352800     -8.6999997E-02  -1.144000    
 O    4.241200      -2.035500     -6.5600000E-02
 N   0.2627000      0.7895000      0.9117000    
 N   -4.274100     -1.2800000E-02 -0.4904000    
 N    3.915900     -0.8691000     -0.2988000    
 C    1.476900       1.558000       1.066700    
 C    2.580700       1.045900      0.1594000    
 C  -0.7421000       1.104700     -1.1700000E-02
 C   -1.915200      0.2484000     -2.9899999E-02
 C   -1.839200      -1.080200      0.3732000    
 C   -3.145000      0.7296000     -0.4492000    
 C   -2.979300      -1.875800      0.3449000    
 C   -4.161600      -1.299600     -9.1200002E-02
 H    1.772800       1.463100       2.116700    
 H    1.267400       2.611400      0.8546000    
 H    3.464000       1.681000      0.3003000    
 H    2.244900       1.104000     -0.8839000    
 H   0.1383000      1.2000000E-02   1.551300    
 H  -0.9072000      -1.539900      0.6881000    
 H   -3.275500       1.757700     -0.7731000    
 H   -2.942700      -2.915900      0.6480000    
 H   -5.078500      -1.877900     -0.1337000    


%chk=000047528-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000047528

0 1
O 2.977573 -0.229953 0.688972
O -0.957700 2.406996 -0.367576
O 4.703011 -0.385445 -0.942411
O 4.369757 -2.077047 0.575201
N 0.297484 0.790511 0.738757
N -4.445416 0.018795 -0.152469
N 4.137235 -0.967989 0.032196
C 1.491671 1.635253 0.822476
C 2.672805 1.071306 0.022538
C -0.865340 1.237064 0.120707
C -2.013087 0.264320 0.078681
C -1.868935 -1.143896 0.166646
C -3.322715 0.789341 -0.090558
C -3.021231 -1.956268 0.100924
C -4.282309 -1.335574 -0.053330
H 1.790549 1.777533 1.877375
H 1.216733 2.619993 0.402655
H 3.554160 1.734192 0.083551
H 2.407710 0.893123 -1.033630
H 0.327503 -0.126579 1.185040
H -0.881429 -1.613502 0.249896
H -3.457502 1.871832 -0.183554
H -2.947194 -3.046499 0.156416
H -5.199833 -1.932004 -0.110105


